N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide

C25H23Cl2N3O2 — CID 3068729

IUPACN-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide
SMILESCOc1ccc2c(c1)N(C)C(CNC(=O)c1ccccc1)CN=C2c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c1-30-18(15-29-25(31)16-6-4-3-5-7-16)14-28-24(20-10-8-17(26)12-22(20)27)21-11-9-19(32-2)13-23(21)30/h3-13,18H,14-15H2,1-2H3,(H,29,31)
InChIKeyLDXDBRXOBCDSDZ-UHFFFAOYSA-N
MW468.38 g/mol
LogP5.09
Rot. Bonds5

About N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide

N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide (PubChem CID 3068729) has the molecular formula C25H23Cl2N3O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide
PubChem CID3068729
Molecular FormulaC25H23Cl2N3O2
Molecular Weight468.38 g/mol
Exact Mass467.12
IUPAC NameN-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide
SMILESCOc1ccc2c(c1)N(C)C(CNC(=O)c1ccccc1)CN=C2c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c1-30-18(15-29-25(31)16-6-4-3-5-7-16)14-28-24(20-10-8-17(26)12-22(20)27)21-11-9-19(32-2)13-23(21)30/h3-13,18H,14-15H2,1-2H3,(H,29,31)
InChIKeyLDXDBRXOBCDSDZ-UHFFFAOYSA-N
XLogP5.09
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide 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-[[(2S)-5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]furan-3-carboxamide
CID 139057277
N-[[5-(4-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide
CID 3068727
N-[(8-methoxy-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 70567590
4-chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
CID 10718445
3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 16829934
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
2-[7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetamide
CID 3086937
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
(2S)-7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
CID 66721904
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide (CID 3068729) is N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide is COc1ccc2c(c1)N(C)C(CNC(=O)c1ccccc1)CN=C2c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide?
The InChIKey is LDXDBRXOBCDSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O2/c1-30-18(15-29-25(31)16-6-4-3-5-7-16)14-28-24(20-10-8-17(26)12-22(20)27)21-11-9-19(32-2)13-23(21)30/h3-13,18H,14-15H2,1-2H3,(H,29,31).
What are the key properties of N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide?
N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide has a molecular weight of 468.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide is sourced from PubChem (CID 3068729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).