N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide

C15H14ClNO3 — CID 114293188

IUPACN-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CCl)c2)c(O)c1
InChIInChI=1S/C15H14ClNO3/c1-20-12-5-6-13(14(18)8-12)15(19)17-11-4-2-3-10(7-11)9-16/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyFINHJAMFKQIPJT-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.39
Rot. Bonds4

About N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide

N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 114293188) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide
PubChem CID114293188
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CCl)c2)c(O)c1
InChIInChI=1S/C15H14ClNO3/c1-20-12-5-6-13(14(18)8-12)15(19)17-11-4-2-3-10(7-11)9-16/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyFINHJAMFKQIPJT-UHFFFAOYSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide
CID 29032119
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-4-methoxybenzamide
CID 61221954
2-hydroxy-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38401851
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 113270952
N-(2,6-diethylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43824721

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide (CID 114293188) is N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(CCl)c2)c(O)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is FINHJAMFKQIPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-20-12-5-6-13(14(18)8-12)15(19)17-11-4-2-3-10(7-11)9-16/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 291.73 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114293188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).