N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide

C14H16ClNO2 — CID 9068771

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C14H16ClNO2/c1-18-13-7-6-11(15)9-12(13)16-14(17)8-10-4-2-3-5-10/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyQRQRGIQEUFTJAR-JTQLQIEISA-N
MW265.74 g/mol
LogP3.64
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide (PubChem CID 9068771) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
PubChem CID9068771
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C14H16ClNO2/c1-18-13-7-6-11(15)9-12(13)16-14(17)8-10-4-2-3-5-10/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyQRQRGIQEUFTJAR-JTQLQIEISA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46551111
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 7741033
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065392
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-[4-chloro-2-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 97023347
N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119815029
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide (CID 9068771) is N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)C[C@H]1C=CCC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is QRQRGIQEUFTJAR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-18-13-7-6-11(15)9-12(13)16-14(17)8-10-4-2-3-5-10/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 265.74 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 9068771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).