2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide

C15H15ClN2O3 — CID 43713494

IUPAC2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccc(Cl)c(C(N)=O)c2)cc1O
InChIInChI=1S/C15H15ClN2O3/c1-21-14-5-2-9(6-13(14)19)8-18-10-3-4-12(16)11(7-10)15(17)20/h2-7,18-19H,8H2,1H3,(H2,17,20)
InChIKeyJFRXMRMQFXAQIS-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.77
Rot. Bonds5

About 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide

2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide (PubChem CID 43713494) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide
PubChem CID43713494
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccc(Cl)c(C(N)=O)c2)cc1O
InChIInChI=1S/C15H15ClN2O3/c1-21-14-5-2-9(6-13(14)19)8-18-10-3-4-12(16)11(7-10)15(17)20/h2-7,18-19H,8H2,1H3,(H2,17,20)
InChIKeyJFRXMRMQFXAQIS-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

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Related Compounds

5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371
5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
CID 104726290
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
CID 102909673
2-hydroxy-4-[(3-methoxyanilino)methyl]benzamide
CID 175971606
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
5-[(4-ethoxy-3-fluoroanilino)methyl]-2-methoxyphenol
CID 115587231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide?
The IUPAC name of 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide (CID 43713494) is 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide is COc1ccc(CNc2ccc(Cl)c(C(N)=O)c2)cc1O.
What is the InChIKey of 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide?
The InChIKey is JFRXMRMQFXAQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-14-5-2-9(6-13(14)19)8-18-10-3-4-12(16)11(7-10)15(17)20/h2-7,18-19H,8H2,1H3,(H2,17,20).
What are the key properties of 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide?
2-chloro-5-[(3-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-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 43713494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).