2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid

C13H14BrClN2O3 — CID 103480781

IUPAC2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2cccc(Cl)c2Br)CCC1
InChIInChI=1S/C13H14BrClN2O3/c14-11-8(15)3-1-4-9(11)16-12(20)17-13(5-2-6-13)7-10(18)19/h1,3-4H,2,5-7H2,(H,18,19)(H2,16,17,20)
InChIKeyOPAGVBZJDXPOAU-UHFFFAOYSA-N
MW361.62 g/mol
LogP3.62
Rot. Bonds4

About 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid

2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid (PubChem CID 103480781) has the molecular formula C13H14BrClN2O3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid
PubChem CID103480781
Molecular FormulaC13H14BrClN2O3
Molecular Weight361.62 g/mol
Exact Mass359.99
IUPAC Name2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2cccc(Cl)c2Br)CCC1
InChIInChI=1S/C13H14BrClN2O3/c14-11-8(15)3-1-4-9(11)16-12(20)17-13(5-2-6-13)7-10(18)19/h1,3-4H,2,5-7H2,(H,18,19)(H2,16,17,20)
InChIKeyOPAGVBZJDXPOAU-UHFFFAOYSA-N
XLogP3.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 103480776
2-[1-[(3-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845572
1-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 103480827
2-[1-[(2-methylsulfanylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 107642357
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845281
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845476
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea
CID 99834350
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid (CID 103480781) is 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Nc2cccc(Cl)c2Br)CCC1.
What is the InChIKey of 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is OPAGVBZJDXPOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O3/c14-11-8(15)3-1-4-9(11)16-12(20)17-13(5-2-6-13)7-10(18)19/h1,3-4H,2,5-7H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid?
2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 361.62 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 103480781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).