2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid

C12H12BrNO3 — CID 83559333

IUPAC2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C12H12BrNO3/c13-8-2-1-3-9(6-8)14-11(17)12(4-5-12)7-10(15)16/h1-3,6H,4-5,7H2,(H,14,17)(H,15,16)
InChIKeyFIVFCVTXDLZVGQ-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.64
Rot. Bonds4

About 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid

2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid (PubChem CID 83559333) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid
PubChem CID83559333
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C12H12BrNO3/c13-8-2-1-3-9(6-8)14-11(17)12(4-5-12)7-10(15)16/h1-3,6H,4-5,7H2,(H,14,17)(H,15,16)
InChIKeyFIVFCVTXDLZVGQ-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
trans-(1S,3R)-3-[(3-bromophenyl)carbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 51921818
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
1-(3-bromoanilino)-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79847327
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163619
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
4-[(3-bromoanilino)methyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 154682953
1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108983671
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid (CID 83559333) is 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid is O=C(O)CC1(C(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid?
The InChIKey is FIVFCVTXDLZVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c13-8-2-1-3-9(6-8)14-11(17)12(4-5-12)7-10(15)16/h1-3,6H,4-5,7H2,(H,14,17)(H,15,16).
What are the key properties of 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid?
2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid has a molecular weight of 298.14 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid is sourced from PubChem (CID 83559333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).