2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H16BrClN2O3 — CID 103480889

IUPAC2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C14H16BrClN2O3/c15-12-10(16)5-2-6-11(12)18-14(21)17-7-8-3-1-4-9(8)13(19)20/h2,5-6,8-9H,1,3-4,7H2,(H,19,20)(H2,17,18,21)
InChIKeyACBBWKIMBBZAJH-UHFFFAOYSA-N
MW375.65 g/mol
LogP3.72
Rot. Bonds4

About 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 103480889) has the molecular formula C14H16BrClN2O3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID103480889
Molecular FormulaC14H16BrClN2O3
Molecular Weight375.65 g/mol
Exact Mass374.00
IUPAC Name2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C14H16BrClN2O3/c15-12-10(16)5-2-6-11(12)18-14(21)17-7-8-3-1-4-9(8)13(19)20/h2,5-6,8-9H,1,3-4,7H2,(H,19,20)(H2,17,18,21)
InChIKeyACBBWKIMBBZAJH-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107601778
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
trans-(1S,2R)-2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108781407
1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea
CID 99834350
1-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 103480827
1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992522
2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81290637
2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 103480776
2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 103480781
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
2-[[3-(2-bromophenyl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
CID 77103572
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 103480889) is 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1CCCC1C(=O)O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ACBBWKIMBBZAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O3/c15-12-10(16)5-2-6-11(12)18-14(21)17-7-8-3-1-4-9(8)13(19)20/h2,5-6,8-9H,1,3-4,7H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 375.65 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103480889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).