4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

C23H18ClN3O3 — CID 5279325

IUPAC4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C23H18ClN3O3/c1-30-19-13-15(24)11-12-17(19)22(28)27-21-23(29)25-18-10-6-5-9-16(18)20(26-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyBIHGIMCBUUNHBP-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.89
Rot. Bonds4

About 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (PubChem CID 5279325) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
PubChem CID5279325
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C23H18ClN3O3/c1-30-19-13-15(24)11-12-17(19)22(28)27-21-23(29)25-18-10-6-5-9-16(18)20(26-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyBIHGIMCBUUNHBP-UHFFFAOYSA-N
XLogP3.89
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279109
5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279328
N-[(11R)-6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-2-methoxybenzamide
CID 10526455
2-methoxy-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
CID 10764856
7-Chloro-4-(2-ethoxybenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CID 3597767
2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 18279234
N-{2-[4-(4-chlorobenzoyl)-1-piperazinyl]phenyl}-2-methoxybenzamide
CID 2949376
3-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279107
4-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279108
N-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-methoxy-benzamide
CID 5279155
2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279340
2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279341

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (CID 5279325) is 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is COc1cc(Cl)ccc1C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The InChIKey is BIHGIMCBUUNHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-30-19-13-15(24)11-12-17(19)22(28)27-21-23(29)25-18-10-6-5-9-16(18)20(26-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,25,29)(H,27,28).
What are the key properties of 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide has a molecular weight of 419.87 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is sourced from PubChem (CID 5279325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).