4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid

C14H9Cl2NO4 — CID 871568

IUPAC4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H9Cl2NO4/c15-11-5-9(10(14(20)21)6-12(11)16)13(19)17-7-1-3-8(18)4-2-7/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyQKYLHQIDBYATGW-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.65
Rot. Bonds3

About 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid

4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid (PubChem CID 871568) has the molecular formula C14H9Cl2NO4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid
PubChem CID871568
Molecular FormulaC14H9Cl2NO4
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H9Cl2NO4/c15-11-5-9(10(14(20)21)6-12(11)16)13(19)17-7-1-3-8(18)4-2-7/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyQKYLHQIDBYATGW-UHFFFAOYSA-N
XLogP3.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
4-amino-3,5-dichloro-N-(4-hydroxyphenyl)benzamide
CID 82832564
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid
CID 122605265
2-acetyl-N-(4-hydroxyphenyl)benzamide
CID 71011787
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid?
The IUPAC name of 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid (CID 871568) is 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid is O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid?
The InChIKey is QKYLHQIDBYATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4/c15-11-5-9(10(14(20)21)6-12(11)16)13(19)17-7-1-3-8(18)4-2-7/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid?
4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid has a molecular weight of 326.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 871568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).