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

C15H14ClNO3 — CID 114299769

IUPACN-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCl)cc2)cc1O
InChIInChI=1S/C15H14ClNO3/c1-20-14-7-4-11(8-13(14)18)15(19)17-12-5-2-10(9-16)3-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyMSLVQWQMRSDJOH-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.39
Rot. Bonds4

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

N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 114299769) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide
PubChem CID114299769
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCl)cc2)cc1O
InChIInChI=1S/C15H14ClNO3/c1-20-14-7-4-11(8-13(14)18)15(19)17-12-5-2-10(9-16)3-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyMSLVQWQMRSDJOH-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-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114310808
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114299823
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587
3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide
CID 79601178
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
CID 15110269
4-(chloromethyl)-N-[4-[4-[[4-(chloromethyl)benzoyl]amino]-3-methoxyphenyl]phenyl]-3-methoxybenzamide
CID 67252370
4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide (CID 114299769) is N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(CCl)cc2)cc1O.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is MSLVQWQMRSDJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-20-14-7-4-11(8-13(14)18)15(19)17-12-5-2-10(9-16)3-6-12/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
N-[4-(chloromethyl)phenyl]-3-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-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114299769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).