N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide

C20H14ClN3O3 — CID 11603310

IUPACN-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide
SMILESO=C(NC1N=C(c2cccc(Cl)c2)c2ccccc2NC1=O)c1ccco1
InChIInChI=1S/C20H14ClN3O3/c21-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)22-20(26)18(23-17)24-19(25)16-9-4-10-27-16/h1-11,18H,(H,22,26)(H,24,25)
InChIKeyUDLVISZTTALEGL-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.48
Rot. Bonds3

About N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide

N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide (PubChem CID 11603310) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide
PubChem CID11603310
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC NameN-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide
SMILESO=C(NC1N=C(c2cccc(Cl)c2)c2ccccc2NC1=O)c1ccco1
InChIInChI=1S/C20H14ClN3O3/c21-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)22-20(26)18(23-17)24-19(25)16-9-4-10-27-16/h1-11,18H,(H,22,26)(H,24,25)
InChIKeyUDLVISZTTALEGL-UHFFFAOYSA-N
XLogP3.48
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-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

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide (CID 11603310) is N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide is O=C(NC1N=C(c2cccc(Cl)c2)c2ccccc2NC1=O)c1ccco1.
What is the InChIKey of N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide?
The InChIKey is UDLVISZTTALEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)22-20(26)18(23-17)24-19(25)16-9-4-10-27-16/h1-11,18H,(H,22,26)(H,24,25).
What are the key properties of N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide?
N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide has a molecular weight of 379.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 11603310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).