N-[1-(4-chlorophenyl)cyclopropyl]butanamide

C13H16ClNO — CID 113091058

IUPACN-[1-(4-chlorophenyl)cyclopropyl]butanamide
SMILESCCCC(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO/c1-2-3-12(16)15-13(8-9-13)10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyMBBVNWGMOPNVDE-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.25
Rot. Bonds4

About N-[1-(4-chlorophenyl)cyclopropyl]butanamide

N-[1-(4-chlorophenyl)cyclopropyl]butanamide (PubChem CID 113091058) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]butanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]butanamide
PubChem CID113091058
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]butanamide
SMILESCCCC(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO/c1-2-3-12(16)15-13(8-9-13)10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyMBBVNWGMOPNVDE-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
N-(1-phenylcyclohexyl)butanamide
CID 110478581
N-[1-(4-chlorophenyl)cyclopropyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111464638
N-[1-(4-chlorophenyl)cyclohexyl]-2-(methylamino)acetamide
CID 119764374
1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea
CID 113215456
N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 47071392
N-(1-phenylcyclopropyl)propanamide
CID 110441332
3-(2-aminophenyl)-N-[1-(4-chlorophenyl)cyclopentyl]propanamide;hydrochloride
CID 120610238
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea
CID 113215393
1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea
CID 113215454
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
N-[1-(4-chlorophenyl)cyclopropyl]pyrrolidine-1-carboxamide
CID 110490806

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]butanamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]butanamide (CID 113091058) is N-[1-(4-chlorophenyl)cyclopropyl]butanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]butanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]butanamide is CCCC(=O)NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]butanamide?
The InChIKey is MBBVNWGMOPNVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-2-3-12(16)15-13(8-9-13)10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]butanamide?
N-[1-(4-chlorophenyl)cyclopropyl]butanamide has a molecular weight of 237.73 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclopropyl]butanamide is sourced from PubChem (CID 113091058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).