2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid

C13H14BrFN2O3 — CID 79845281

IUPAC2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C13H14BrFN2O3/c14-8-2-3-10(9(15)6-8)16-12(20)17-13(4-1-5-13)7-11(18)19/h2-3,6H,1,4-5,7H2,(H,18,19)(H2,16,17,20)
InChIKeyWMAFZAQSHFTGKM-UHFFFAOYSA-N
MW345.17 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid

2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid (PubChem CID 79845281) has the molecular formula C13H14BrFN2O3 and a molecular weight of 345.17 g/mol. Its IUPAC name is 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
PubChem CID79845281
Molecular FormulaC13H14BrFN2O3
Molecular Weight345.17 g/mol
Exact Mass344.02
IUPAC Name2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C13H14BrFN2O3/c14-8-2-3-10(9(15)6-8)16-12(20)17-13(4-1-5-13)7-11(18)19/h2-3,6H,1,4-5,7H2,(H,18,19)(H2,16,17,20)
InChIKeyWMAFZAQSHFTGKM-UHFFFAOYSA-N
XLogP3.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,5-difluoro-4-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 103586712
2-[1-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79851397
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
2-[1-[(3-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845572
2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 103480781
2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64699643
2-[1-[(2-methylsulfanylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 107642357
2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845476
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164
2-[1-[5-bromo-2-(trifluoromethyl)anilino]cyclobutyl]acetic acid
CID 107285610
2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 82801440
2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81165102

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid (CID 79845281) is 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Nc2ccc(Br)cc2F)CCC1.
What is the InChIKey of 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is WMAFZAQSHFTGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O3/c14-8-2-3-10(9(15)6-8)16-12(20)17-13(4-1-5-13)7-11(18)19/h2-3,6H,1,4-5,7H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid?
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 345.17 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).