N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide

C20H21ClN2O2 — CID 166315665

IUPACN-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
SMILESO=C1CC(CC(=O)Nc2ccccc2-c2ccc(Cl)cc2)CCCN1
InChIInChI=1S/C20H21ClN2O2/c21-16-9-7-15(8-10-16)17-5-1-2-6-18(17)23-20(25)13-14-4-3-11-22-19(24)12-14/h1-2,5-10,14H,3-4,11-13H2,(H,22,24)(H,23,25)
InChIKeyWJMLUTNZIPQUEY-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.25
Rot. Bonds4

About N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide

N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide (PubChem CID 166315665) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
PubChem CID166315665
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
SMILESO=C1CC(CC(=O)Nc2ccccc2-c2ccc(Cl)cc2)CCCN1
InChIInChI=1S/C20H21ClN2O2/c21-16-9-7-15(8-10-16)17-5-1-2-6-18(17)23-20(25)13-14-4-3-11-22-19(24)12-14/h1-2,5-10,14H,3-4,11-13H2,(H,22,24)(H,23,25)
InChIKeyWJMLUTNZIPQUEY-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
CID 167863574
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
CID 62676298
N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
CID 167873572
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
2-(cyclopropylmethylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 119675331
2-cyclohexyl-N-[4-[4-[(2-cyclohexylacetyl)amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-1-yl]acetamide
CID 70882631
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4,5-trifluorophenyl)phenyl]acetamide;hydrochloride
CID 119813729
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
2-cyclobutyl-N-(2-iodophenyl)acetamide
CID 103706273

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide (CID 166315665) is N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide is O=C1CC(CC(=O)Nc2ccccc2-c2ccc(Cl)cc2)CCCN1.
What is the InChIKey of N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide?
The InChIKey is WJMLUTNZIPQUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-16-9-7-15(8-10-16)17-5-1-2-6-18(17)23-20(25)13-14-4-3-11-22-19(24)12-14/h1-2,5-10,14H,3-4,11-13H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide?
N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide has a molecular weight of 356.85 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide is sourced from PubChem (CID 166315665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).