1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid

C12H12Cl2N2O3 — CID 81160963

IUPAC1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1Cl)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H12Cl2N2O3/c13-7-2-3-9(8(14)6-7)15-11(19)16-12(10(17)18)4-1-5-12/h2-3,6H,1,4-5H2,(H,17,18)(H2,15,16,19)
InChIKeyHDWSXSIIKSLVIK-UHFFFAOYSA-N
MW303.14 g/mol
LogP3.12
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid

1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81160963) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.14 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81160963
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC Name1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1Cl)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H12Cl2N2O3/c13-7-2-3-9(8(14)6-7)15-11(19)16-12(10(17)18)4-1-5-12/h2-3,6H,1,4-5H2,(H,17,18)(H2,15,16,19)
InChIKeyHDWSXSIIKSLVIK-UHFFFAOYSA-N
XLogP3.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61199392
1-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 81280606
1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
CID 65464806
1-[(2-chloro-4-cyanophenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107809312
1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61182116
1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107627959
4-[(2-bromo-4-chlorophenyl)carbamoylamino]oxane-4-carboxylic acid
CID 115293314
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
1-[(3-chloro-4-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81164066
1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215347
1-[(4-chloro-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61468561
1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61202086

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid (CID 81160963) is 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid is O=C(Nc1ccc(Cl)cc1Cl)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is HDWSXSIIKSLVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c13-7-2-3-9(8(14)6-7)15-11(19)16-12(10(17)18)4-1-5-12/h2-3,6H,1,4-5H2,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 303.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81160963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).