N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide

C17H14ClF3N2O2 — CID 113000074

IUPACN-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF3N2O2/c18-13-7-6-12(17(19,20)21)9-14(13)23-16(25)10-22-15(24)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,22,24)(H,23,25)
InChIKeyZQVOLNIEMPEFPN-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.66
Rot. Bonds5

About N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide

N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 113000074) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
PubChem CID113000074
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC NameN-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF3N2O2/c18-13-7-6-12(17(19,20)21)9-14(13)23-16(25)10-22-15(24)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,22,24)(H,23,25)
InChIKeyZQVOLNIEMPEFPN-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 113000076
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113000083
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2162964
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
CID 108945653
2-[(4-chlorophenyl)methylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1286761
N-benzyl-N'-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanediamide
CID 108961616

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide (CID 113000074) is N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is ZQVOLNIEMPEFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-13-7-6-12(17(19,20)21)9-14(13)23-16(25)10-22-15(24)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 370.76 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 113000074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).