4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide

C19H26ClN3O2 — CID 110811575

IUPAC4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H26ClN3O2/c20-16-8-6-15(7-9-16)14-18(24)22-10-3-11-23(13-12-22)19(25)21-17-4-1-2-5-17/h6-9,17H,1-5,10-14H2,(H,21,25)
InChIKeyDBELOSSLOWFYQH-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.07
Rot. Bonds3

About 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide

4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide (PubChem CID 110811575) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
PubChem CID110811575
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H26ClN3O2/c20-16-8-6-15(7-9-16)14-18(24)22-10-3-11-23(13-12-22)19(25)21-17-4-1-2-5-17/h6-9,17H,1-5,10-14H2,(H,21,25)
InChIKeyDBELOSSLOWFYQH-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
CID 110813116
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813840
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813016
4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813914
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108561805

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide (CID 110811575) is 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide is O=C(Cc1ccc(Cl)cc1)N1CCCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide?
The InChIKey is DBELOSSLOWFYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c20-16-8-6-15(7-9-16)14-18(24)22-10-3-11-23(13-12-22)19(25)21-17-4-1-2-5-17/h6-9,17H,1-5,10-14H2,(H,21,25).
What are the key properties of 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide?
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110811575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).