N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide

C18H16ClF3N2O2 — CID 113000076

IUPACN-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H16ClF3N2O2/c19-14-8-7-13(18(20,21)22)10-15(14)24-17(26)11-23-16(25)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,23,25)(H,24,26)
InChIKeyOTQIKHNUCVXVOU-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.05
Rot. Bonds6

About N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide

N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 113000076) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
PubChem CID113000076
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H16ClF3N2O2/c19-14-8-7-13(18(20,21)22)10-15(14)24-17(26)11-23-16(25)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,23,25)(H,24,26)
InChIKeyOTQIKHNUCVXVOU-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide 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-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
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-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide
CID 59689158
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide
CID 113001262
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2162964
[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-phenylpropanoate
CID 7654429
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide (CID 113000076) is N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is OTQIKHNUCVXVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c19-14-8-7-13(18(20,21)22)10-15(14)24-17(26)11-23-16(25)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide?
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 384.79 g/mol, XLogP of 4.05, 6 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]-3-phenylpropanamide is sourced from PubChem (CID 113000076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).