N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide

C14H18ClNO — CID 110416576

IUPACN-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H18ClNO/c1-10(12-5-6-12)14(17)16-8-7-11-3-2-4-13(15)9-11/h2-4,9-10,12H,5-8H2,1H3,(H,16,17)
InChIKeyPBOODIOPZDWDHO-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide

N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide (PubChem CID 110416576) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
PubChem CID110416576
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)NCCc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H18ClNO/c1-10(12-5-6-12)14(17)16-8-7-11-3-2-4-13(15)9-11/h2-4,9-10,12H,5-8H2,1H3,(H,16,17)
InChIKeyPBOODIOPZDWDHO-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 55122740
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
2-cyclopentyl-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110355667
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide (CID 110416576) is N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide is CC(C(=O)NCCc1cccc(Cl)c1)C1CC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide?
The InChIKey is PBOODIOPZDWDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10(12-5-6-12)14(17)16-8-7-11-3-2-4-13(15)9-11/h2-4,9-10,12H,5-8H2,1H3,(H,16,17).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide?
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide has a molecular weight of 251.76 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 110416576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).