2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid

C14H16BrClN2O3 — CID 103480776

IUPAC2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2cccc(Cl)c2Br)CCCC1
InChIInChI=1S/C14H16BrClN2O3/c15-12-9(16)4-3-5-10(12)17-13(21)18-14(8-11(19)20)6-1-2-7-14/h3-5H,1-2,6-8H2,(H,19,20)(H2,17,18,21)
InChIKeyHOHSLYRBAYJTNN-UHFFFAOYSA-N
MW375.65 g/mol
LogP4.01
Rot. Bonds4

About 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid

2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid (PubChem CID 103480776) has the molecular formula C14H16BrClN2O3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid
PubChem CID103480776
Molecular FormulaC14H16BrClN2O3
Molecular Weight375.65 g/mol
Exact Mass374.00
IUPAC Name2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2cccc(Cl)c2Br)CCCC1
InChIInChI=1S/C14H16BrClN2O3/c15-12-9(16)4-3-5-10(12)17-13(21)18-14(8-11(19)20)6-1-2-7-14/h3-5H,1-2,6-8H2,(H,19,20)(H2,17,18,21)
InChIKeyHOHSLYRBAYJTNN-UHFFFAOYSA-N
XLogP4.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 103480781
2-[1-[(3-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845572
1-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 103480827
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
2-[1-[(2-methylsulfanylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 107642357
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845281
2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64699643
1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
CID 103479480
2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64701805
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea
CID 99834350

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid (CID 103480776) is 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)Nc2cccc(Cl)c2Br)CCCC1.
What is the InChIKey of 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid?
The InChIKey is HOHSLYRBAYJTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O3/c15-12-9(16)4-3-5-10(12)17-13(21)18-14(8-11(19)20)6-1-2-7-14/h3-5H,1-2,6-8H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid?
2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid has a molecular weight of 375.65 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 103480776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).