4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide

C23H29ClN4O2 — CID 30668935

IUPAC4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-26(2)23(30)19-6-10-21(11-7-19)25-22(29)17-28-13-3-12-27(14-15-28)16-18-4-8-20(24)9-5-18/h4-11H,3,12-17H2,1-2H3,(H,25,29)
InChIKeyOVOPSXAHJGHSQD-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.19
Rot. Bonds6

About 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 30668935) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID30668935
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN4O2/c1-26(2)23(30)19-6-10-21(11-7-19)25-22(29)17-28-13-3-12-27(14-15-28)16-18-4-8-20(24)9-5-18/h4-11H,3,12-17H2,1-2H3,(H,25,29)
InChIKeyOVOPSXAHJGHSQD-UHFFFAOYSA-N
XLogP3.19
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8904118
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 39948967
2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 112808550
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22195453
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 108743738
4-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 46802394
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195442
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide (CID 30668935) is 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is OVOPSXAHJGHSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-26(2)23(30)19-6-10-21(11-7-19)25-22(29)17-28-13-3-12-27(14-15-28)16-18-4-8-20(24)9-5-18/h4-11H,3,12-17H2,1-2H3,(H,25,29).
What are the key properties of 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 428.96 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30668935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).