2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H13BrCl2N2O3 — CID 64816884

IUPAC2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)NC1CCCC1C(=O)O
InChIInChI=1S/C13H13BrCl2N2O3/c14-6-4-8(15)11(9(16)5-6)18-13(21)17-10-3-1-2-7(10)12(19)20/h4-5,7,10H,1-3H2,(H,19,20)(H2,17,18,21)
InChIKeyUPNXMGUTDCGIII-UHFFFAOYSA-N
MW396.07 g/mol
LogP4.13
Rot. Bonds3

About 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64816884) has the molecular formula C13H13BrCl2N2O3 and a molecular weight of 396.07 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64816884
Molecular FormulaC13H13BrCl2N2O3
Molecular Weight396.07 g/mol
Exact Mass393.95
IUPAC Name2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)NC1CCCC1C(=O)O
InChIInChI=1S/C13H13BrCl2N2O3/c14-6-4-8(15)11(9(16)5-6)18-13(21)17-10-3-1-2-7(10)12(19)20/h4-5,7,10H,1-3H2,(H,19,20)(H2,17,18,21)
InChIKeyUPNXMGUTDCGIII-UHFFFAOYSA-N
XLogP4.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.07
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60942132
2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64818045
2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81279700
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
1-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 171916810
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854411
(1S,6R)-6-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962097
2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82766632
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
2-[(3-bromo-5-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107938194
1-[(4-bromo-2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376609
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64816884) is 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1c(Cl)cc(Br)cc1Cl)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is UPNXMGUTDCGIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N2O3/c14-6-4-8(15)11(9(16)5-6)18-13(21)17-10-3-1-2-7(10)12(19)20/h4-5,7,10H,1-3H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 396.07 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).