2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid

C15H18BrNO3 — CID 120975257

IUPAC2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C15H18BrNO3/c1-9(8-10-2-4-11(16)5-3-10)17-14(18)12-6-7-13(12)15(19)20/h2-5,9,12-13H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyCRVGSOTYQFIENJ-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.61
Rot. Bonds5

About 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid

2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975257) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975257
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C15H18BrNO3/c1-9(8-10-2-4-11(16)5-3-10)17-14(18)12-6-7-13(12)15(19)20/h2-5,9,12-13H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyCRVGSOTYQFIENJ-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867930
2-[1-(3-bromo-4-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977411
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide
CID 75262929
N-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47288217
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120925805
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
(1S,6R)-6-(1-phenylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962407
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
2-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974965

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975257) is 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid is CC(Cc1ccc(Br)cc1)NC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is CRVGSOTYQFIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-9(8-10-2-4-11(16)5-3-10)17-14(18)12-6-7-13(12)15(19)20/h2-5,9,12-13H,6-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 340.22 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).