2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid

C14H17ClN2O4 — CID 102865423

IUPAC2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N(CCO)C2CCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O4/c15-12-8-9(4-5-11(12)13(19)20)16-14(21)17(6-7-18)10-2-1-3-10/h4-5,8,10,18H,1-3,6-7H2,(H,16,21)(H,19,20)
InChIKeyDGHNGJXNDJSTLZ-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.42
Rot. Bonds5

About 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid

2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid (PubChem CID 102865423) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
PubChem CID102865423
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N(CCO)C2CCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O4/c15-12-8-9(4-5-11(12)13(19)20)16-14(21)17(6-7-18)10-2-1-3-10/h4-5,8,10,18H,1-3,6-7H2,(H,16,21)(H,19,20)
InChIKeyDGHNGJXNDJSTLZ-UHFFFAOYSA-N
XLogP2.42
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111437751
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110896948
3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
CID 72932044
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 61194740
3-bromo-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid (CID 102865423) is 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)N(CCO)C2CCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
The InChIKey is DGHNGJXNDJSTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c15-12-8-9(4-5-11(12)13(19)20)16-14(21)17(6-7-18)10-2-1-3-10/h4-5,8,10,18H,1-3,6-7H2,(H,16,21)(H,19,20).
What are the key properties of 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid?
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid has a molecular weight of 312.75 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 102865423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).