N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide

C21H24Cl2N4O2 — CID 23910431

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
SMILESCC(C)(CN)CNC(=O)c1ccc2c(c1)NC(=O)CC(c1ccc(Cl)cc1Cl)N2
InChIInChI=1S/C21H24Cl2N4O2/c1-21(2,10-24)11-25-20(29)12-3-6-16-18(7-12)27-19(28)9-17(26-16)14-5-4-13(22)8-15(14)23/h3-8,17,26H,9-11,24H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyRFROWJLQFCXBKM-UHFFFAOYSA-N
MW435.36 g/mol
LogP4.20
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide (PubChem CID 23910431) has the molecular formula C21H24Cl2N4O2 and a molecular weight of 435.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
PubChem CID23910431
Molecular FormulaC21H24Cl2N4O2
Molecular Weight435.36 g/mol
Exact Mass434.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
SMILESCC(C)(CN)CNC(=O)c1ccc2c(c1)NC(=O)CC(c1ccc(Cl)cc1Cl)N2
InChIInChI=1S/C21H24Cl2N4O2/c1-21(2,10-24)11-25-20(29)12-3-6-16-18(7-12)27-19(28)9-17(26-16)14-5-4-13(22)8-15(14)23/h3-8,17,26H,9-11,24H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyRFROWJLQFCXBKM-UHFFFAOYSA-N
XLogP4.20
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-(2,4-dichlorobenzoyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23742178
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23824577
N-(3-amino-2,2-dimethylpropyl)-2-cyclohexyl-1-(3,4-difluorobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23933101
N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
CID 137499276
N-(3-amino-2,2-dimethylpropyl)-1-[4-(dimethylamino)benzoyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23851933
N-(4-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-2-(2,4-dichlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23991038
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610
N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23903118
4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82158219
4-(2,4-dichlorophenyl)piperidine-2,6-dione
CID 63156604
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-3-fluorobenzamide
CID 107994092
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide (CID 23910431) is N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide is CC(C)(CN)CNC(=O)c1ccc2c(c1)NC(=O)CC(c1ccc(Cl)cc1Cl)N2.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
The InChIKey is RFROWJLQFCXBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O2/c1-21(2,10-24)11-25-20(29)12-3-6-16-18(7-12)27-19(28)9-17(26-16)14-5-4-13(22)8-15(14)23/h3-8,17,26H,9-11,24H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide has a molecular weight of 435.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide is sourced from PubChem (CID 23910431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).