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

C24H21N3O4 — CID 5279341

IUPAC2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)c(OC)c1
InChIInChI=1S/C24H21N3O4/c1-30-16-12-13-18(20(14-16)31-2)23(28)27-22-24(29)25-19-11-7-6-10-17(19)21(26-22)15-8-4-3-5-9-15/h3-14,22H,1-2H3,(H,25,29)(H,27,28)
InChIKeyONKFIXJZDHICMX-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.25
Rot. Bonds5

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

2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (PubChem CID 5279341) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
PubChem CID5279341
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)c(OC)c1
InChIInChI=1S/C24H21N3O4/c1-30-16-12-13-18(20(14-16)31-2)23(28)27-22-24(29)25-19-11-7-6-10-17(19)21(26-22)15-8-4-3-5-9-15/h3-14,22H,1-2H3,(H,25,29)(H,27,28)
InChIKeyONKFIXJZDHICMX-UHFFFAOYSA-N
XLogP3.25
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279109
2-methoxy-4-nitro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279125
2-methoxy-4-nitro-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 5279126
4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279325
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
N-[5-(2-Fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-4-methoxy-benzamide
CID 14208254
N-(3,5-dimethoxyphenyl)-2-[3-(4-methylphenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]acetamide
CID 16012443
N-[2-(ethylamino)-2-oxoethyl]-2,4-dihydroxy-N-(4-methoxyphenyl)benzamide
CID 124201642
N-(cyclohexylmethyl)-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3284660
4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 4074724
N-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4531404

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide (CID 5279341) is 2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is COc1ccc(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
The InChIKey is ONKFIXJZDHICMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-16-12-13-18(20(14-16)31-2)23(28)27-22-24(29)25-19-11-7-6-10-17(19)21(26-22)15-8-4-3-5-9-15/h3-14,22H,1-2H3,(H,25,29)(H,27,28).
What are the key properties of 2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide?
2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide has a molecular weight of 415.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide is sourced from PubChem (CID 5279341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).