N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide

C15H20ClNO — CID 114300597

IUPACN-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1(CCl)CCCC1
InChIInChI=1S/C15H20ClNO/c16-12-15(10-4-5-11-15)17-14(18)9-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,17,18)
InChIKeyNLMOLPUDPHJCLY-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.29
Rot. Bonds5

About N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide

N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide (PubChem CID 114300597) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
PubChem CID114300597
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1(CCl)CCCC1
InChIInChI=1S/C15H20ClNO/c16-12-15(10-4-5-11-15)17-14(18)9-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,17,18)
InChIKeyNLMOLPUDPHJCLY-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
CID 113272403
N-[4-(chloromethyl)oxan-4-yl]-3-(3-methylphenyl)propanamide
CID 106300497
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 114303546
N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide
CID 114314101
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide
CID 62521811
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide
CID 113344785
2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217192

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide (CID 114300597) is N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide?
The InChIKey is NLMOLPUDPHJCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-12-15(10-4-5-11-15)17-14(18)9-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,17,18).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide?
N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide has a molecular weight of 265.78 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide is sourced from PubChem (CID 114300597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).