N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide

C17H14ClF3N2O2 — CID 26776083

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14ClF3N2O2/c1-10-2-4-11(5-3-10)16(25)22-9-15(24)23-12-6-7-14(18)13(8-12)17(19,20)21/h2-8H,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyPSGFKNDPYZWYMZ-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.04
Rot. Bonds4

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 26776083) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
PubChem CID26776083
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14ClF3N2O2/c1-10-2-4-11(5-3-10)16(25)22-9-15(24)23-12-6-7-14(18)13(8-12)17(19,20)21/h2-8H,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyPSGFKNDPYZWYMZ-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 55347418
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108953519
N-butyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 139036224
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide (CID 26776083) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is PSGFKNDPYZWYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c1-10-2-4-11(5-3-10)16(25)22-9-15(24)23-12-6-7-14(18)13(8-12)17(19,20)21/h2-8H,9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 370.76 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 26776083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).