1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid

C13H15ClN2O3 — CID 113311118

IUPAC1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid
SMILESNC(=O)c1ccc(Cl)cc1NCC1(C(=O)O)CCC1
InChIInChI=1S/C13H15ClN2O3/c14-8-2-3-9(11(15)17)10(6-8)16-7-13(12(18)19)4-1-5-13/h2-3,6,16H,1,4-5,7H2,(H2,15,17)(H,18,19)
InChIKeyRBDLKVJLDFEQNA-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.11
Rot. Bonds5

About 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid

1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 113311118) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid
PubChem CID113311118
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid
SMILESNC(=O)c1ccc(Cl)cc1NCC1(C(=O)O)CCC1
InChIInChI=1S/C13H15ClN2O3/c14-8-2-3-9(11(15)17)10(6-8)16-7-13(12(18)19)4-1-5-13/h2-3,6,16H,1,4-5,7H2,(H2,15,17)(H,18,19)
InChIKeyRBDLKVJLDFEQNA-UHFFFAOYSA-N
XLogP2.11
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-carbamoyl-5-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433325
1-[(4-bromo-2-carbamoylanilino)methyl]cyclobutane-1-carboxylic acid
CID 114890256
1-(2-carbamoyl-5-chloroanilino)cycloheptane-1-carboxylic acid
CID 63082238
1-[(4-chloro-2-cyanoanilino)methyl]cyclohexane-1-carboxylic acid
CID 115436174
1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433360
4-chloro-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzenecarbothioamide
CID 105418100
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713
1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309120
4-(2-carbamoyl-5-chloroanilino)-2-methylbutanoic acid
CID 80539385
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
4-[(2-carbamoyl-4-fluoroanilino)methyl]oxane-4-carboxylic acid
CID 115438727

Frequently Asked Questions

What is the IUPAC name of 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid (CID 113311118) is 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid is NC(=O)c1ccc(Cl)cc1NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is RBDLKVJLDFEQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-8-2-3-9(11(15)17)10(6-8)16-7-13(12(18)19)4-1-5-13/h2-3,6,16H,1,4-5,7H2,(H2,15,17)(H,18,19).
What are the key properties of 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid?
1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-carbamoyl-5-chloroanilino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).