N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide

C17H17ClFNO — CID 113197436

IUPACN-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO/c1-11-10-13(18)6-9-15(11)20-16(21)17(2,3)12-4-7-14(19)8-5-12/h4-10H,1-3H3,(H,20,21)
InChIKeyAMDVDAOWWBQZBK-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.70
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide

N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 113197436) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide
PubChem CID113197436
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO/c1-11-10-13(18)6-9-15(11)20-16(21)17(2,3)12-4-7-14(19)8-5-12/h4-10H,1-3H3,(H,20,21)
InChIKeyAMDVDAOWWBQZBK-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide
CID 80549657
2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide
CID 80555203
2-(4-chlorophenyl)-N-(5-hydroxy-2,4-dimethylphenyl)-2-methylpropanamide
CID 167970243
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
2-(4-aminophenyl)-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 80549576
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
N-(5-chloro-2-methoxyphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198111
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106
2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 1193965
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113197454

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide (CID 113197436) is N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide is Cc1cc(Cl)ccc1NC(=O)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is AMDVDAOWWBQZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-11-10-13(18)6-9-15(11)20-16(21)17(2,3)12-4-7-14(19)8-5-12/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide?
N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 305.78 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 113197436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).