3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid

C16H20BrNO3 — CID 103550181

IUPAC3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(NC(=O)C1CCC(C(=O)O)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrNO3/c1-2-14(10-5-7-13(17)8-6-10)18-15(19)11-3-4-12(9-11)16(20)21/h5-8,11-12,14H,2-4,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyGHDXLFIELUHJNV-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.52
Rot. Bonds5

About 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid

3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550181) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550181
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(NC(=O)C1CCC(C(=O)O)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrNO3/c1-2-14(10-5-7-13(17)8-6-10)18-15(19)11-3-4-12(9-11)16(20)21/h5-8,11-12,14H,2-4,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyGHDXLFIELUHJNV-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840
2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974662
N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115697061
N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705008
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041091
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103550181) is 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid is CCC(NC(=O)C1CCC(C(=O)O)C1)c1ccc(Br)cc1.
What is the InChIKey of 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is GHDXLFIELUHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-2-14(10-5-7-13(17)8-6-10)18-15(19)11-3-4-12(9-11)16(20)21/h5-8,11-12,14H,2-4,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 354.24 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).