3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

C17H16Cl2FNO — CID 118727198

IUPAC3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H16Cl2FNO/c1-11(8-13-4-5-14(18)9-16(13)19)17(22)21-10-12-2-6-15(20)7-3-12/h2-7,9,11H,8,10H2,1H3,(H,21,22)
InChIKeyVJFURWCCUAMYGS-UHFFFAOYSA-N
MW340.23 g/mol
LogP4.63
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 118727198) has the molecular formula C17H16Cl2FNO and a molecular weight of 340.23 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID118727198
Molecular FormulaC17H16Cl2FNO
Molecular Weight340.23 g/mol
Exact Mass339.06
IUPAC Name3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H16Cl2FNO/c1-11(8-13-4-5-14(18)9-16(13)19)17(22)21-10-12-2-6-15(20)7-3-12/h2-7,9,11H,8,10H2,1H3,(H,21,22)
InChIKeyVJFURWCCUAMYGS-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
CID 23550315
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 23550324
(S)-6-(4-chlorobenzylamino)-2-(4-fluoro-3,5-dimethylbenzyl)-N-hydroxyhexanamide
CID 24991002
(S)-6-(4-chlorobenzylamino)-2-(4-fluoro-3-methylbenzyl)-N-hydroxyhexanamide
CID 54581015
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
2,4-dichloro-N-propylbenzamide
CID 221797
N1-(4-chlorobenzyl)-2-benzyl-N3-hydroxymalonamide
CID 16114883
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
N-(4-chlorobenzyl)-4-phenylbutanamide
CID 885528

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (CID 118727198) is 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is CC(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is VJFURWCCUAMYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO/c1-11(8-13-4-5-14(18)9-16(13)19)17(22)21-10-12-2-6-15(20)7-3-12/h2-7,9,11H,8,10H2,1H3,(H,21,22).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 340.23 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 118727198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).