N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide

C16H13Cl2F3N2O — CID 108998258

IUPACN-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cc(C(F)(F)F)ccc1Cl)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2F3N2O/c17-12-4-1-10(2-5-12)8-23-15(24)9-22-14-7-11(16(19,20)21)3-6-13(14)18/h1-7,22H,8-9H2,(H,23,24)
InChIKeyUPVLCGYBCXCPCQ-UHFFFAOYSA-N
MW377.19 g/mol
LogP4.74
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide

N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide (PubChem CID 108998258) has the molecular formula C16H13Cl2F3N2O and a molecular weight of 377.19 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
PubChem CID108998258
Molecular FormulaC16H13Cl2F3N2O
Molecular Weight377.19 g/mol
Exact Mass376.04
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cc(C(F)(F)F)ccc1Cl)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2F3N2O/c17-12-4-1-10(2-5-12)8-23-15(24)9-22-14-7-11(16(19,20)21)3-6-13(14)18/h1-7,22H,8-9H2,(H,23,24)
InChIKeyUPVLCGYBCXCPCQ-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998853
2-[(4-chlorophenyl)methylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1286761
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 109021116
N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
CID 68695951
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-4-ylmethyl)propanediamide
CID 108947865
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63036661
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999863
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
CID 109007403
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 56787287

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide (CID 108998258) is N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide is O=C(CNc1cc(C(F)(F)F)ccc1Cl)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is UPVLCGYBCXCPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O/c17-12-4-1-10(2-5-12)8-23-15(24)9-22-14-7-11(16(19,20)21)3-6-13(14)18/h1-7,22H,8-9H2,(H,23,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 377.19 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 108998258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).