N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide

C13H16ClNO — CID 110441339

IUPACN-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)NCC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H16ClNO/c1-2-12(16)15-9-13(6-7-13)10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyXQPNAYLHGIYAMC-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.90
Rot. Bonds4

About N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide

N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide (PubChem CID 110441339) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
PubChem CID110441339
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)NCC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H16ClNO/c1-2-12(16)15-9-13(6-7-13)10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyXQPNAYLHGIYAMC-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732
N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide
CID 119749852
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618958
3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
CID 110439910
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119799758
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]furan-2-carboxamide
CID 110443400
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 110445812
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
2-[[N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111640257
3-[[1-(3-chlorophenyl)cyclopropyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003196

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide?
The IUPAC name of N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide (CID 110441339) is N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide is CCC(=O)NCC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide?
The InChIKey is XQPNAYLHGIYAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-2-12(16)15-9-13(6-7-13)10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide?
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide has a molecular weight of 237.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 110441339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).