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

C25H19FN4O3 — CID 14208235

IUPACN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC3N=C(c4ccccc4F)c4ccccc4NC3=O)cc2c1
InChIInChI=1S/C25H19FN4O3/c1-33-15-10-11-19-14(12-15)13-21(27-19)24(31)30-23-25(32)28-20-9-5-3-7-17(20)22(29-23)16-6-2-4-8-18(16)26/h2-13,23,27H,1H3,(H,28,32)(H,30,31)
InChIKeyFJKVMAGMTNNVHP-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.86
Rot. Bonds4

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

N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 14208235) has the molecular formula C25H19FN4O3 and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID14208235
Molecular FormulaC25H19FN4O3
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC3N=C(c4ccccc4F)c4ccccc4NC3=O)cc2c1
InChIInChI=1S/C25H19FN4O3/c1-33-15-10-11-19-14(12-15)13-21(27-19)24(31)30-23-25(32)28-20-9-5-3-7-17(20)22(29-23)16-6-2-4-8-18(16)26/h2-13,23,27H,1H3,(H,28,32)(H,30,31)
InChIKeyFJKVMAGMTNNVHP-UHFFFAOYSA-N
XLogP3.86
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 14800324
N-[5-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide
CID 11524210
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 156600169
N-[(3S)-5-(2-fluorophenyl)-2-oxo-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 57010480
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
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
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide
CID 22418098
2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 11705127
N-(2-fluoro-4-iodophenyl)-5-methoxy-1H-indole-2-carboxamide
CID 2742913
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
4,5-dimethyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide
CID 5279385

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide (CID 14208235) is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NC3N=C(c4ccccc4F)c4ccccc4NC3=O)cc2c1.
What is the InChIKey of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is FJKVMAGMTNNVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3/c1-33-15-10-11-19-14(12-15)13-21(27-19)24(31)30-23-25(32)28-20-9-5-3-7-17(20)22(29-23)16-6-2-4-8-18(16)26/h2-13,23,27H,1H3,(H,28,32)(H,30,31).
What are the key properties of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide?
N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 14208235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).