2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid

C14H10ClF3N2O3S — CID 68695214

IUPAC2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid
SMILESO=C(Nc1ccc(Cl)cc1)NC(C(=O)O)c1ccsc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O3S/c15-7-1-3-8(4-2-7)19-13(23)20-10(12(21)22)9-5-6-24-11(9)14(16,17)18/h1-6,10H,(H,21,22)(H2,19,20,23)
InChIKeyTZLAETFVYBFGBK-UHFFFAOYSA-N
MW378.76 g/mol
LogP4.37
Rot. Bonds4

About 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid

2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid (PubChem CID 68695214) has the molecular formula C14H10ClF3N2O3S and a molecular weight of 378.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid
PubChem CID68695214
Molecular FormulaC14H10ClF3N2O3S
Molecular Weight378.76 g/mol
Exact Mass378.01
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid
SMILESO=C(Nc1ccc(Cl)cc1)NC(C(=O)O)c1ccsc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O3S/c15-7-1-3-8(4-2-7)19-13(23)20-10(12(21)22)9-5-6-24-11(9)14(16,17)18/h1-6,10H,(H,21,22)(H2,19,20,23)
InChIKeyTZLAETFVYBFGBK-UHFFFAOYSA-N
XLogP4.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.76
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid
CID 107316089
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
1-phenyl-3-[(1S)-2,2,2-trichloro-1-(4-chloroanilino)ethyl]urea
CID 1106952
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea
CID 70346476
[2-[(4-chlorophenyl)carbamoylamino]-1,2-diphenylethyl]carbamic acid
CID 67780916
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-phenylacetamide
CID 90820759
(2R)-2-[[(2S)-2-[(4-chlorophenyl)carbamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 40551472

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid (CID 68695214) is 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid is O=C(Nc1ccc(Cl)cc1)NC(C(=O)O)c1ccsc1C(F)(F)F.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid?
The InChIKey is TZLAETFVYBFGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3S/c15-7-1-3-8(4-2-7)19-13(23)20-10(12(21)22)9-5-6-24-11(9)14(16,17)18/h1-6,10H,(H,21,22)(H2,19,20,23).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid?
2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid has a molecular weight of 378.76 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-2-[2-(trifluoromethyl)thiophen-3-yl]acetic acid is sourced from PubChem (CID 68695214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).