1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid

C13H13ClFNO3 — CID 166235429

IUPAC1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccc(Cl)c(F)c1)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H13ClFNO3/c14-9-3-2-8(6-10(9)15)7-11(17)16-13(12(18)19)4-1-5-13/h2-3,6H,1,4-5,7H2,(H,16,17)(H,18,19)
InChIKeyFNFFUUQVDJMOQM-UHFFFAOYSA-N
MW285.70 g/mol
LogP2.15
Rot. Bonds4

About 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 166235429) has the molecular formula C13H13ClFNO3 and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID166235429
Molecular FormulaC13H13ClFNO3
Molecular Weight285.70 g/mol
Exact Mass285.06
IUPAC Name1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccc(Cl)c(F)c1)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H13ClFNO3/c14-9-3-2-8(6-10(9)15)7-11(17)16-13(12(18)19)4-1-5-13/h2-3,6H,1,4-5,7H2,(H,16,17)(H,18,19)
InChIKeyFNFFUUQVDJMOQM-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid 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

1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
1-[(4-chloro-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61468561
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62531746
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 114012649
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[[2-(3-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910172

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 166235429) is 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(Cc1ccc(Cl)c(F)c1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is FNFFUUQVDJMOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO3/c14-9-3-2-8(6-10(9)15)7-11(17)16-13(12(18)19)4-1-5-13/h2-3,6H,1,4-5,7H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 285.70 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166235429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).