N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide

C14H16ClNO — CID 9068457

IUPACN-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1Cl
InChIInChI=1S/C14H16ClNO/c1-10-6-7-12(9-13(10)15)16-14(17)8-11-4-2-3-5-11/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyPYQWWTMOLPCSEZ-LLVKDONJSA-N
MW249.74 g/mol
LogP3.94
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide (PubChem CID 9068457) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
PubChem CID9068457
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1Cl
InChIInChI=1S/C14H16ClNO/c1-10-6-7-12(9-13(10)15)16-14(17)8-11-4-2-3-5-11/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyPYQWWTMOLPCSEZ-LLVKDONJSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065405
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 52511276
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 103730318
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110859269
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5412789
N-(3-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222844

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide (CID 9068457) is N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide is Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is PYQWWTMOLPCSEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10-6-7-12(9-13(10)15)16-14(17)8-11-4-2-3-5-11/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 249.74 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 9068457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).