3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide

C14H18ClNO — CID 51113060

IUPAC3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide
SMILESCCN(C(=O)CCc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H18ClNO/c1-2-16(12-8-9-12)14(17)10-7-11-5-3-4-6-13(11)15/h3-6,12H,2,7-10H2,1H3
InChIKeyBZLNQFOHCZUVJT-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.28
Rot. Bonds5

About 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide

3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide (PubChem CID 51113060) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide
PubChem CID51113060
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide
SMILESCCN(C(=O)CCc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H18ClNO/c1-2-16(12-8-9-12)14(17)10-7-11-5-3-4-6-13(11)15/h3-6,12H,2,7-10H2,1H3
InChIKeyBZLNQFOHCZUVJT-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
CID 91786141
2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
CID 112568608
3-(2-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
CID 120608067
2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132617008
3-[2-(2-chlorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108900318
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 114290016
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
1-(2-chlorophenyl)-4,4-dimethylhexan-3-one
CID 91135576

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide (CID 51113060) is 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide is CCN(C(=O)CCc1ccccc1Cl)C1CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide?
The InChIKey is BZLNQFOHCZUVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-16(12-8-9-12)14(17)10-7-11-5-3-4-6-13(11)15/h3-6,12H,2,7-10H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide?
3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide has a molecular weight of 251.76 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide is sourced from PubChem (CID 51113060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).