2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H14Cl2N2O3 — CID 64818045

IUPAC2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H14Cl2N2O3/c14-7-4-8(15)6-9(5-7)16-13(20)17-11-3-1-2-10(11)12(18)19/h4-6,10-11H,1-3H2,(H,18,19)(H2,16,17,20)
InChIKeyRUVNEWZBWPVCGD-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.37
Rot. Bonds3

About 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64818045) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64818045
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H14Cl2N2O3/c14-7-4-8(15)6-9(5-7)16-13(20)17-11-3-1-2-10(11)12(18)19/h4-6,10-11H,1-3H2,(H,18,19)(H2,16,17,20)
InChIKeyRUVNEWZBWPVCGD-UHFFFAOYSA-N
XLogP3.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107654072
2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 75115965
trans-(1S,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 888025
2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816884
2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81279700
2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 79046093
1-(2-carbamothioylcyclopentyl)-3-(3-chlorophenyl)urea
CID 55152530
1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea
CID 118767524
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815927
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64818045) is 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cc(Cl)cc(Cl)c1)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RUVNEWZBWPVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-7-4-8(15)6-9(5-7)16-13(20)17-11-3-1-2-10(11)12(18)19/h4-6,10-11H,1-3H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 317.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64818045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).