4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide

C14H13ClN2O2 — CID 3359174

IUPAC4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N)cc2Cl)c(O)c1
InChIInChI=1S/C14H13ClN2O2/c1-8-2-5-12(13(18)6-8)17-14(19)10-4-3-9(16)7-11(10)15/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyVYPPFRVAYMICSC-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.19
Rot. Bonds2

About 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide

4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide (PubChem CID 3359174) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
PubChem CID3359174
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N)cc2Cl)c(O)c1
InChIInChI=1S/C14H13ClN2O2/c1-8-2-5-12(13(18)6-8)17-14(19)10-4-3-9(16)7-11(10)15/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyVYPPFRVAYMICSC-UHFFFAOYSA-N
XLogP3.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
N-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
CID 106860345
4-amino-2-chloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 110464996
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 63116147
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide (CID 3359174) is 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(N)cc2Cl)c(O)c1.
What is the InChIKey of 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide?
The InChIKey is VYPPFRVAYMICSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-2-5-12(13(18)6-8)17-14(19)10-4-3-9(16)7-11(10)15/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide?
4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide has a molecular weight of 276.72 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 3359174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).