2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide

C15H15ClN2O3 — CID 61261202

IUPAC2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)c(O)c1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-4-2-9(14(19)7-11)8-18-10-3-5-12(15(17)20)13(16)6-10/h2-7,18-19H,8H2,1H3,(H2,17,20)
InChIKeyKSVHRRFOPOAERX-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.77
Rot. Bonds5

About 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide

2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide (PubChem CID 61261202) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
PubChem CID61261202
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)c(O)c1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-4-2-9(14(19)7-11)8-18-10-3-5-12(15(17)20)13(16)6-10/h2-7,18-19H,8H2,1H3,(H2,17,20)
InChIKeyKSVHRRFOPOAERX-UHFFFAOYSA-N
XLogP2.77
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 61263985
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
CID 61262129
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
5-methoxy-2-[(2,4,6-trichloroanilino)methyl]phenol
CID 63425254
4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
CID 28614468
2-[(3-bromo-4-methylanilino)methyl]-5-methoxyphenol
CID 63333359
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide?
The IUPAC name of 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide (CID 61261202) is 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide is COc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)c(O)c1.
What is the InChIKey of 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide?
The InChIKey is KSVHRRFOPOAERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-11-4-2-9(14(19)7-11)8-18-10-3-5-12(15(17)20)13(16)6-10/h2-7,18-19H,8H2,1H3,(H2,17,20).
What are the key properties of 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide?
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide has a molecular weight of 306.75 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 61261202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).