2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid

C14H11ClN2O4 — CID 61405952

IUPAC2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
SMILESO=C(Nc1ccccc1Cl)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H11ClN2O4/c15-10-3-1-2-4-12(10)17-14(21)16-11-6-5-8(18)7-9(11)13(19)20/h1-7,18H,(H,19,20)(H2,16,17,21)
InChIKeyVNHJTFDQLVBEJI-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.39
Rot. Bonds3

About 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid

2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid (PubChem CID 61405952) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
PubChem CID61405952
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
SMILESO=C(Nc1ccccc1Cl)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H11ClN2O4/c15-10-3-1-2-4-12(10)17-14(21)16-11-6-5-8(18)7-9(11)13(19)20/h1-7,18H,(H,19,20)(H2,16,17,21)
InChIKeyVNHJTFDQLVBEJI-UHFFFAOYSA-N
XLogP3.39
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
CID 62074134
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid
CID 103513232
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
CID 61198828
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61405707

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid (CID 61405952) is 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid is O=C(Nc1ccccc1Cl)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid?
The InChIKey is VNHJTFDQLVBEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-10-3-1-2-4-12(10)17-14(21)16-11-6-5-8(18)7-9(11)13(19)20/h1-7,18H,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid?
2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid has a molecular weight of 306.71 g/mol, XLogP of 3.39, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61405952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).