N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide

C15H20ClNO — CID 107184100

IUPACN-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC(Cl)c1ccccc1NC(=O)C1CCCC1C
InChIInChI=1S/C15H20ClNO/c1-10-6-5-8-12(10)15(18)17-14-9-4-3-7-13(14)11(2)16/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyBIPHWMDMGSPJEX-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.36
Rot. Bonds3

About N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide

N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107184100) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107184100
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC(Cl)c1ccccc1NC(=O)C1CCCC1C
InChIInChI=1S/C15H20ClNO/c1-10-6-5-8-12(10)15(18)17-14-9-4-3-7-13(14)11(2)16/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyBIPHWMDMGSPJEX-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.36
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-[2-(1-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114304921
N-[2-(1-chloroethyl)phenyl]cyclobutanecarboxamide
CID 114304919
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
N-[2-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507972
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
CID 107301087
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192
N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 114304745
N-[2-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79757811
N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
N-[2-(1-chloroethyl)phenyl]-2-(thian-4-yl)acetamide
CID 83137934
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide (CID 107184100) is N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide is CC(Cl)c1ccccc1NC(=O)C1CCCC1C.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is BIPHWMDMGSPJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10-6-5-8-12(10)15(18)17-14-9-4-3-7-13(14)11(2)16/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide?
N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 265.78 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).