2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide

C23H27ClN4O3 — CID 52704763

IUPAC2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1Cl
InChIInChI=1S/C23H27ClN4O3/c1-14(2)12-26-23(31)17-9-8-16(11-18(17)24)25-13-22(30)28-15(3)10-21(29)27-19-6-4-5-7-20(19)28/h4-9,11,14-15,25H,10,12-13H2,1-3H3,(H,26,31)(H,27,29)/t15-/m1/s1
InChIKeyJNLJKTQMMYGCHR-OAHLLOKOSA-N
MW442.95 g/mol
LogP3.90
Rot. Bonds6

About 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide

2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 52704763) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID52704763
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1Cl
InChIInChI=1S/C23H27ClN4O3/c1-14(2)12-26-23(31)17-9-8-16(11-18(17)24)25-13-22(30)28-15(3)10-21(29)27-19-6-4-5-7-20(19)28/h4-9,11,14-15,25H,10,12-13H2,1-3H3,(H,26,31)(H,27,29)/t15-/m1/s1
InChIKeyJNLJKTQMMYGCHR-OAHLLOKOSA-N
XLogP3.90
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide with MolForge

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Related Compounds

(4S)-5-[2-[4-bromo-3-(trifluoromethyl)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 41390590
(4R)-4-methyl-5-[2-(methylamino)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 9391866
(4S)-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8636552
(4R)-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8636547
(4S)-5-[2-[2-(difluoromethoxy)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 30568647
N-[4-[[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 60524193
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium
CID 8598709
5-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 42921552
[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 55357937
(2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 51672831
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]propanamide
CID 42927855
2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide (CID 52704763) is 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is JNLJKTQMMYGCHR-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-14(2)12-26-23(31)17-9-8-16(11-18(17)24)25-13-22(30)28-15(3)10-21(29)27-19-6-4-5-7-20(19)28/h4-9,11,14-15,25H,10,12-13H2,1-3H3,(H,26,31)(H,27,29)/t15-/m1/s1.
What are the key properties of 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 442.95 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 52704763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).