N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide

C14H19ClN2O — CID 124638804

IUPACN-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccccc1[C@@H]1CCCNCC1
InChIInChI=1S/C14H19ClN2O/c15-10-14(18)17-13-6-2-1-5-12(13)11-4-3-8-16-9-7-11/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)/t11-/m1/s1
InChIKeyMRDJBLVAFYIDJW-LLVKDONJSA-N
MW266.77 g/mol
LogP2.72
Rot. Bonds3

About N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide

N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide (PubChem CID 124638804) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide
PubChem CID124638804
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccccc1[C@@H]1CCCNCC1
InChIInChI=1S/C14H19ClN2O/c15-10-14(18)17-13-6-2-1-5-12(13)11-4-3-8-16-9-7-11/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)/t11-/m1/s1
InChIKeyMRDJBLVAFYIDJW-LLVKDONJSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide
CID 18407081
9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
CID 131725247
(2-cyclopentylphenyl)urea
CID 154512225
1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
CID 67251605
2-chloro-N-[2-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]acetamide
CID 13346828
2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide
CID 166408399
4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride
CID 67252502
tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
CID 83902120
N-cyclohexyl-2-piperidin-4-ylbenzamide;hydrochloride
CID 170456891
(2-cyclopentylphenyl)thiourea
CID 123980328
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
CID 62676298
N,N'-dimethyl-N'-phenylsulfanylethane-1,2-diamine;methanamine;N-(2-piperidin-3-ylphenyl)acetamide
CID 144655188

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide?
The IUPAC name of N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide (CID 124638804) is N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide?
The canonical SMILES for N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide is O=C(CCl)Nc1ccccc1[C@@H]1CCCNCC1.
What is the InChIKey of N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide?
The InChIKey is MRDJBLVAFYIDJW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-10-14(18)17-13-6-2-1-5-12(13)11-4-3-8-16-9-7-11/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)/t11-/m1/s1.
What are the key properties of N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide?
N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide has a molecular weight of 266.77 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide is sourced from PubChem (CID 124638804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).