2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17BrN2O3 — CID 82766632

IUPAC2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(Br)c(NC(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C14H17BrN2O3/c1-8-5-6-10(15)12(7-8)17-14(20)16-11-4-2-3-9(11)13(18)19/h5-7,9,11H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCKIKQDVRQMBEQD-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.13
Rot. Bonds3

About 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 82766632) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID82766632
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(Br)c(NC(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C14H17BrN2O3/c1-8-5-6-10(15)12(7-8)17-14(20)16-11-4-2-3-9(11)13(18)19/h5-7,9,11H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCKIKQDVRQMBEQD-UHFFFAOYSA-N
XLogP3.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711
2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81279700
4-bromo-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 107814156
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854411
2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816695
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 79046093
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82756721
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 82766632) is 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is Cc1ccc(Br)c(NC(=O)NC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is CKIKQDVRQMBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-8-5-6-10(15)12(7-8)17-14(20)16-11-4-2-3-9(11)13(18)19/h5-7,9,11H,2-4H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82766632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).