3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

C39H28ClF2N7O3 — CID 157120124

IUPAC3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
SMILESNC1N=C(c2ccccc2F)c2ccccc2NC1=O.O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C24H16ClFN4O2.C15H12FN3O/c25-14-9-10-18-13(11-14)12-20(27-18)23(31)30-22-24(32)28-19-8-4-2-6-16(19)21(29-22)15-5-1-3-7-17(15)26;16-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)18-15(20)14(17)19-13/h1-12,22,27H,(H,28,32)(H,30,31);1-8,14H,17H2,(H,18,20)
InChIKeyAHWGEKUWJVWWTC-UHFFFAOYSA-N
MW716.15 g/mol
LogP6.41
Rot. Bonds4

About 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide (PubChem CID 157120124) has the molecular formula C39H28ClF2N7O3 and a molecular weight of 716.15 g/mol. Its IUPAC name is 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
PubChem CID157120124
Molecular FormulaC39H28ClF2N7O3
Molecular Weight716.15 g/mol
Exact Mass715.19
IUPAC Name3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
SMILESNC1N=C(c2ccccc2F)c2ccccc2NC1=O.O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C24H16ClFN4O2.C15H12FN3O/c25-14-9-10-18-13(11-14)12-20(27-18)23(31)30-22-24(32)28-19-8-4-2-6-16(19)21(29-22)15-5-1-3-7-17(15)26;16-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)18-15(20)14(17)19-13/h1-12,22,27H,(H,28,32)(H,30,31);1-8,14H,17H2,(H,18,20)
InChIKeyAHWGEKUWJVWWTC-UHFFFAOYSA-N
XLogP6.41
TPSA153.83 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.15
LogP ≤ 56.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide
CID 14208235
5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
CID 70002816
5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 14208239
N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide
CID 101001865
5-chloro-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-indole-2-carboxamide
CID 11674808
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
N-[(3S)-5-(2-fluorophenyl)-2-oxo-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 57010480
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
3,4-dichloro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 67868995
N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-nitrobenzamide
CID 5279335
5-fluoro-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-(pyridin-2-ylmethoxy)benzamide
CID 54755521
5-chloro-2-(2-ethoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 58176440

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide (CID 157120124) is 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide is NC1N=C(c2ccccc2F)c2ccccc2NC1=O.O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is AHWGEKUWJVWWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O2.C15H12FN3O/c25-14-9-10-18-13(11-14)12-20(27-18)23(31)30-22-24(32)28-19-8-4-2-6-16(19)21(29-22)15-5-1-3-7-17(15)26;16-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)18-15(20)14(17)19-13/h1-12,22,27H,(H,28,32)(H,30,31);1-8,14H,17H2,(H,18,20).
What are the key properties of 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 716.15 g/mol, XLogP of 6.41, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-chloro-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 157120124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).