2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C19H18ClF3N2O2 — CID 113168967

IUPAC2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C)c1C
InChIInChI=1S/C19H18ClF3N2O2/c1-11-5-4-6-17(12(11)2)25(13(3)26)10-18(27)24-16-9-14(19(21,22)23)7-8-15(16)20/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyKUZJNASWRCEDMQ-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.97
Rot. Bonds4

About 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 113168967) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID113168967
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C)c1C
InChIInChI=1S/C19H18ClF3N2O2/c1-11-5-4-6-17(12(11)2)25(13(3)26)10-18(27)24-16-9-14(19(21,22)23)7-8-15(16)20/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyKUZJNASWRCEDMQ-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113169161
2-(N-acetyl-2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113171195
2-(N-acetyl-2-methylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113167437
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113161698
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
2-(N-acetyl-2,3-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113168914
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113169007
2-(N-acetyl-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113167376
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 113175197
2-[acetyl(3-methoxypropyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113160139

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 113168967) is 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C)c1C.
What is the InChIKey of 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KUZJNASWRCEDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-11-5-4-6-17(12(11)2)25(13(3)26)10-18(27)24-16-9-14(19(21,22)23)7-8-15(16)20/h4-9H,10H2,1-3H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.81 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113168967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).