N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide

C16H13ClF3NO — CID 17168115

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-10-4-2-3-5-11(10)8-15(22)21-14-7-6-12(17)9-13(14)16(18,19)20/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeyKIKFZQBSERVIAD-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.85
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide (PubChem CID 17168115) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
PubChem CID17168115
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-10-4-2-3-5-11(10)8-15(22)21-14-7-6-12(17)9-13(14)16(18,19)20/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeyKIKFZQBSERVIAD-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
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CID 113001024
4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
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CID 8624306
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000723
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide (CID 17168115) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide?
The InChIKey is KIKFZQBSERVIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-10-4-2-3-5-11(10)8-15(22)21-14-7-6-12(17)9-13(14)16(18,19)20/h2-7,9H,8H2,1H3,(H,21,22).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide has a molecular weight of 327.73 g/mol, XLogP of 4.85, 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-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 17168115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).