1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

C21H22ClN3O — CID 73292397

IUPAC1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCNC(=O)N1N=C(c2ccc(Cl)cc2)c2cc(C3CC3)ccc2CC1C
InChIInChI=1S/C21H22ClN3O/c1-13-11-17-6-5-16(14-3-4-14)12-19(17)20(24-25(13)21(26)23-2)15-7-9-18(22)10-8-15/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,26)
InChIKeyLBHJVAHATMRZIP-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.56
Rot. Bonds2

About 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (PubChem CID 73292397) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
PubChem CID73292397
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
SMILESCNC(=O)N1N=C(c2ccc(Cl)cc2)c2cc(C3CC3)ccc2CC1C
InChIInChI=1S/C21H22ClN3O/c1-13-11-17-6-5-16(14-3-4-14)12-19(17)20(24-25(13)21(26)23-2)15-7-9-18(22)10-8-15/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,26)
InChIKeyLBHJVAHATMRZIP-UHFFFAOYSA-N
XLogP4.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-amino-1-(4-chlorophenyl)-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 90368394
1-(4-chlorophenyl)-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118237470
1-(4-chlorophenyl)-N,4-dimethyl-8-pyridin-4-yl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73292399
1-(4-chlorophenyl)-N,4-dimethyl-8-(2-pyrrolidin-1-ylethoxy)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 73292588
1-[4-(3-hydroxycyclopentyl)phenyl]-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 126706444
7-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-1-(4-chlorophenyl)-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 126706475
1-[4-(5-cyclopropyl-3-ethylpyrazol-1-yl)phenyl]-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 123209696
8-acetamido-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118237409
(4R)-1-(4-chlorophenyl)-6-fluoro-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118310173
4-[(4R)-7,8-dimethoxy-4-methyl-3-(methylcarbamoyl)-4,5-dihydro-2,3-benzodiazepin-1-yl]benzoic acid
CID 145066683
4-[(4S)-7,8-dimethoxy-4-methyl-3-(methylcarbamoyl)-4,5-dihydro-2,3-benzodiazepin-1-yl]benzoic acid
CID 145066603
1-[4-(cyclopropylcarbamoyl)phenyl]-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 145066630

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide (CID 73292397) is 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is CNC(=O)N1N=C(c2ccc(Cl)cc2)c2cc(C3CC3)ccc2CC1C.
What is the InChIKey of 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
The InChIKey is LBHJVAHATMRZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-13-11-17-6-5-16(14-3-4-14)12-19(17)20(24-25(13)21(26)23-2)15-7-9-18(22)10-8-15/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide?
1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-cyclopropyl-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide is sourced from PubChem (CID 73292397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).