4-chloro-2-[(4-hydroxyanilino)methyl]benzamide

C14H13ClN2O2 — CID 57295326

IUPAC4-chloro-2-[(4-hydroxyanilino)methyl]benzamide
SMILESNC(=O)c1ccc(Cl)cc1CNc1ccc(O)cc1
InChIInChI=1S/C14H13ClN2O2/c15-10-1-6-13(14(16)19)9(7-10)8-17-11-2-4-12(18)5-3-11/h1-7,17-18H,8H2,(H2,16,19)
InChIKeyXERMUIZOZNMIFY-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.76
Rot. Bonds4

About 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide

4-chloro-2-[(4-hydroxyanilino)methyl]benzamide (PubChem CID 57295326) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-[(4-hydroxyanilino)methyl]benzamide
PubChem CID57295326
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-2-[(4-hydroxyanilino)methyl]benzamide
SMILESNC(=O)c1ccc(Cl)cc1CNc1ccc(O)cc1
InChIInChI=1S/C14H13ClN2O2/c15-10-1-6-13(14(16)19)9(7-10)8-17-11-2-4-12(18)5-3-11/h1-7,17-18H,8H2,(H2,16,19)
InChIKeyXERMUIZOZNMIFY-UHFFFAOYSA-N
XLogP2.76
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloroanilino)methyl]benzamide
CID 28580780
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide
CID 66160120
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide
CID 115761971
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202
2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 43714112
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide?
The IUPAC name of 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide (CID 57295326) is 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide?
The canonical SMILES for 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide is NC(=O)c1ccc(Cl)cc1CNc1ccc(O)cc1.
What is the InChIKey of 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide?
The InChIKey is XERMUIZOZNMIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-10-1-6-13(14(16)19)9(7-10)8-17-11-2-4-12(18)5-3-11/h1-7,17-18H,8H2,(H2,16,19).
What are the key properties of 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide?
4-chloro-2-[(4-hydroxyanilino)methyl]benzamide has a molecular weight of 276.72 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-hydroxyanilino)methyl]benzamide is sourced from PubChem (CID 57295326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).