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

C12H16ClNO — CID 4249207

IUPACN-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9(2)12(15)14-7-6-10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeySADPCOGQHJGZOW-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.65
Rot. Bonds4

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

N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide (PubChem CID 4249207) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
PubChem CID4249207
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9(2)12(15)14-7-6-10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeySADPCOGQHJGZOW-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 55122740
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide
CID 94784903
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide (CID 4249207) is N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide?
The InChIKey is SADPCOGQHJGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(2)12(15)14-7-6-10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide?
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide has a molecular weight of 225.72 g/mol, XLogP of 2.65, 4 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-methylpropanamide is sourced from PubChem (CID 4249207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).