N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C17H14ClF4N3O2 — CID 26022207

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF4N3O2/c18-14-6-5-12(7-13(14)17(20,21)22)25-15(26)9-24-16(27)23-8-10-1-3-11(19)4-2-10/h1-7H,8-9H2,(H,25,26)(H2,23,24,27)
InChIKeyJUCKDNNPFLSXKK-UHFFFAOYSA-N
MW403.76 g/mol
LogP3.94
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 26022207) has the molecular formula C17H14ClF4N3O2 and a molecular weight of 403.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID26022207
Molecular FormulaC17H14ClF4N3O2
Molecular Weight403.76 g/mol
Exact Mass403.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF4N3O2/c18-14-6-5-12(7-13(14)17(20,21)22)25-15(26)9-24-16(27)23-8-10-1-3-11(19)4-2-10/h1-7H,8-9H2,(H,25,26)(H2,23,24,27)
InChIKeyJUCKDNNPFLSXKK-UHFFFAOYSA-N
XLogP3.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.76
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide 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

2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]urea
CID 3868756
N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
CID 35412970
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
CID 84515951
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 51310778
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 26776083

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 26022207) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is JUCKDNNPFLSXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N3O2/c18-14-6-5-12(7-13(14)17(20,21)22)25-15(26)9-24-16(27)23-8-10-1-3-11(19)4-2-10/h1-7H,8-9H2,(H,25,26)(H2,23,24,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 403.76 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 26022207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).