3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane

C16H19ClN2O2 — CID 142869645

IUPAC3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane
SMILESCC.Cc1cc(N)c(O)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O2.C2H6/c1-8-6-11(13(18)12(16)7-8)14(19)17-10-4-2-9(15)3-5-10;1-2/h2-7,18H,16H2,1H3,(H,17,19);1-2H3
InChIKeyGMTFDYQPAIWDAZ-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.21
Rot. Bonds2

About 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane

3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane (PubChem CID 142869645) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane
PubChem CID142869645
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane
SMILESCC.Cc1cc(N)c(O)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O2.C2H6/c1-8-6-11(13(18)12(16)7-8)14(19)17-10-4-2-9(15)3-5-10;1-2/h2-7,18H,16H2,1H3,(H,17,19);1-2H3
InChIKeyGMTFDYQPAIWDAZ-UHFFFAOYSA-N
XLogP4.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.21
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

3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide
CID 142869631
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
N-[4-chloro-3-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-dimethylbenzamide
CID 138495135
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 100532256
methyl 2-amino-3-[(4-chlorophenyl)carbamoyl]benzoate
CID 69478568
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane (CID 142869645) is 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane is CC.Cc1cc(N)c(O)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane?
The InChIKey is GMTFDYQPAIWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2.C2H6/c1-8-6-11(13(18)12(16)7-8)14(19)17-10-4-2-9(15)3-5-10;1-2/h2-7,18H,16H2,1H3,(H,17,19);1-2H3.
What are the key properties of 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane?
3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane has a molecular weight of 306.79 g/mol, XLogP of 4.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane is sourced from PubChem (CID 142869645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).