2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide

C14H13ClN2O2 — CID 43736451

IUPAC2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2ccccc2O)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-12-7-10(5-6-11(12)14(16)19)17-8-9-3-1-2-4-13(9)18/h1-7,17-18H,8H2,(H2,16,19)
InChIKeyBFWHBSANDBZBRY-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.76
Rot. Bonds4

About 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide

2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide (PubChem CID 43736451) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
PubChem CID43736451
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2ccccc2O)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-12-7-10(5-6-11(12)14(16)19)17-8-9-3-1-2-4-13(9)18/h1-7,17-18H,8H2,(H2,16,19)
InChIKeyBFWHBSANDBZBRY-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': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide
CID 80650015
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
2-chloro-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzamide
CID 63315299
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 43736377

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide?
The IUPAC name of 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide (CID 43736451) is 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide?
The canonical SMILES for 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide is NC(=O)c1ccc(NCc2ccccc2O)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide?
The InChIKey is BFWHBSANDBZBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-7-10(5-6-11(12)14(16)19)17-8-9-3-1-2-4-13(9)18/h1-7,17-18H,8H2,(H2,16,19).
What are the key properties of 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide?
2-chloro-4-[(2-hydroxyphenyl)methylamino]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 2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide is sourced from PubChem (CID 43736451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).