N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide

C16H13Cl2F3N2O — CID 108998273

IUPACN-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2F3N2O/c17-11-3-1-10(2-4-11)8-23-15(24)9-22-12-5-6-14(18)13(7-12)16(19,20)21/h1-7,22H,8-9H2,(H,23,24)
InChIKeyNIMZTEMCQMVJQS-UHFFFAOYSA-N
MW377.19 g/mol
LogP4.74
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide

N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide (PubChem CID 108998273) has the molecular formula C16H13Cl2F3N2O and a molecular weight of 377.19 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
PubChem CID108998273
Molecular FormulaC16H13Cl2F3N2O
Molecular Weight377.19 g/mol
Exact Mass376.04
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2F3N2O/c17-11-3-1-10(2-4-11)8-23-15(24)9-22-12-5-6-14(18)13(7-12)16(19,20)21/h1-7,22H,8-9H2,(H,23,24)
InChIKeyNIMZTEMCQMVJQS-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-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-ethylphenyl)acetamide
CID 109007711
N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
CID 68695951
N'-[3,4-bis(trifluoromethyl)phenyl]-N-[(4-chlorophenyl)methyl]propanediamide
CID 20562818
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999863
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide (CID 108998273) is N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide is O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is NIMZTEMCQMVJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O/c17-11-3-1-10(2-4-11)8-23-15(24)9-22-12-5-6-14(18)13(7-12)16(19,20)21/h1-7,22H,8-9H2,(H,23,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 108998273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).