3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C15H19BrN2O3 — CID 81289601

IUPAC3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1cc(Br)ccc1NC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H19BrN2O3/c1-2-9-7-11(16)4-6-13(9)18-15(21)17-12-5-3-10(8-12)14(19)20/h4,6-7,10,12H,2-3,5,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFAYYODGBMVVJNE-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.39
Rot. Bonds4

About 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 81289601) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID81289601
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1cc(Br)ccc1NC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H19BrN2O3/c1-2-9-7-11(16)4-6-13(9)18-15(21)17-12-5-3-10(8-12)14(19)20/h4,6-7,10,12H,2-3,5,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFAYYODGBMVVJNE-UHFFFAOYSA-N
XLogP3.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81288944
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
4-[(4-bromo-2-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088195
3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81281055
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
5-bromo-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548823
cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106323996
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031213
cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319865
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 81289601) is 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is CCc1cc(Br)ccc1NC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FAYYODGBMVVJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-2-9-7-11(16)4-6-13(9)18-15(21)17-12-5-3-10(8-12)14(19)20/h4,6-7,10,12H,2-3,5,8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 355.23 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81289601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).