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

C16H11ClF4N2O2 — CID 113001009

IUPACN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11ClF4N2O2/c17-10-4-5-13(12(7-10)16(19,20)21)23-14(24)8-22-15(25)9-2-1-3-11(18)6-9/h1-7H,8H2,(H,22,25)(H,23,24)
InChIKeyUJJHHSPPQBCBJG-UHFFFAOYSA-N
MW374.72 g/mol
LogP3.87
Rot. Bonds4

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

N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 113001009) has the molecular formula C16H11ClF4N2O2 and a molecular weight of 374.72 g/mol. Its IUPAC name is N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID113001009
Molecular FormulaC16H11ClF4N2O2
Molecular Weight374.72 g/mol
Exact Mass374.04
IUPAC NameN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11ClF4N2O2/c17-10-4-5-13(12(7-10)16(19,20)21)23-14(24)8-22-15(25)9-2-1-3-11(18)6-9/h1-7H,8H2,(H,22,25)(H,23,24)
InChIKeyUJJHHSPPQBCBJG-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.72
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
CID 109042072
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662788
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2397372
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide (CID 113001009) is N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide is O=C(CNC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is UJJHHSPPQBCBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF4N2O2/c17-10-4-5-13(12(7-10)16(19,20)21)23-14(24)8-22-15(25)9-2-1-3-11(18)6-9/h1-7H,8H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 374.72 g/mol, XLogP of 3.87, 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-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 113001009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).