2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid

C14H16F2N2O3 — CID 81165102

IUPAC2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)Nc2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H16F2N2O3/c15-9-2-3-11(10(16)6-9)18-13(21)17-8-14(4-1-5-14)7-12(19)20/h2-3,6H,1,4-5,7-8H2,(H,19,20)(H2,17,18,21)
InChIKeyAOECRZABJVNBKT-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.73
Rot. Bonds5

About 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid

2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81165102) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
PubChem CID81165102
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)Nc2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H16F2N2O3/c15-9-2-3-11(10(16)6-9)18-13(21)17-8-14(4-1-5-14)7-12(19)20/h2-3,6H,1,4-5,7-8H2,(H,19,20)(H2,17,18,21)
InChIKeyAOECRZABJVNBKT-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic 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-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81164735
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea
CID 61298666
1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450080
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845281
2-[1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81149045
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 103750559
2-[1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104638357
1-[[(4-fluoro-2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434445

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid (CID 81165102) is 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)Nc2ccc(F)cc2F)CCC1.
What is the InChIKey of 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is AOECRZABJVNBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c15-9-2-3-11(10(16)6-9)18-13(21)17-8-14(4-1-5-14)7-12(19)20/h2-3,6H,1,4-5,7-8H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 298.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81165102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).