4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid

C19H17ClF3NO3 — CID 67362415

IUPAC4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
SMILESO=C(O)CC(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3NO3/c20-15-6-4-12(5-7-15)9-16(11-18(26)27)24-17(25)10-13-2-1-3-14(8-13)19(21,22)23/h1-8,16H,9-11H2,(H,24,25)(H,26,27)
InChIKeyUBYKOBBGTHXZML-UHFFFAOYSA-N
MW399.80 g/mol
LogP4.10
Rot. Bonds7

About 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid

4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid (PubChem CID 67362415) has the molecular formula C19H17ClF3NO3 and a molecular weight of 399.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
PubChem CID67362415
Molecular FormulaC19H17ClF3NO3
Molecular Weight399.80 g/mol
Exact Mass399.08
IUPAC Name4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
SMILESO=C(O)CC(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3NO3/c20-15-6-4-12(5-7-15)9-16(11-18(26)27)24-17(25)10-13-2-1-3-14(8-13)19(21,22)23/h1-8,16H,9-11H2,(H,24,25)(H,26,27)
InChIKeyUBYKOBBGTHXZML-UHFFFAOYSA-N
XLogP4.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(3-methoxyphenyl)acetyl]amino]-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 67361234
(3S)-4-(4-chlorophenyl)-3-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 67361324
4-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 167728511
(3S)-4-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]butanoic acid;(3S)-3-[[2-(2,3-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid;(3S)-3-[[2-(4-methylphenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 87370516
(3S)-4-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 53341193
(3S)-4-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 53341147
3-[[2-(3-chlorophenyl)acetyl]amino]-4-(4-cyanophenyl)butanoic acid
CID 67360113
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
methyl (2S)-3-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 8010923
4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 67362285
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119588010

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid?
The IUPAC name of 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid (CID 67362415) is 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid?
The canonical SMILES for 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid is O=C(O)CC(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid?
The InChIKey is UBYKOBBGTHXZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO3/c20-15-6-4-12(5-7-15)9-16(11-18(26)27)24-17(25)10-13-2-1-3-14(8-13)19(21,22)23/h1-8,16H,9-11H2,(H,24,25)(H,26,27).
What are the key properties of 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid?
4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid has a molecular weight of 399.80 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid is sourced from PubChem (CID 67362415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).