N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide

C15H14ClNO3 — CID 107725957

IUPACN-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCc1cccc(CCl)c1)c1cc(O)ccc1O
InChIInChI=1S/C15H14ClNO3/c16-8-10-2-1-3-11(6-10)9-17-15(20)13-7-12(18)4-5-14(13)19/h1-7,18-19H,8-9H2,(H,17,20)
InChIKeyRJWUUXQJWZKFND-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.77
Rot. Bonds4

About N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide

N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide (PubChem CID 107725957) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide
PubChem CID107725957
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCc1cccc(CCl)c1)c1cc(O)ccc1O
InChIInChI=1S/C15H14ClNO3/c16-8-10-2-1-3-11(6-10)9-17-15(20)13-7-12(18)4-5-14(13)19/h1-7,18-19H,8-9H2,(H,17,20)
InChIKeyRJWUUXQJWZKFND-UHFFFAOYSA-N
XLogP2.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
N-[[3-(chloromethyl)phenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672627
2-bromo-N-[[3-(chloromethyl)phenyl]methyl]-5-methylbenzamide
CID 114302504
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide
CID 11558152
2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103892127
N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677678
2-hydroxy-N-[(3-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 47292166
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide (CID 107725957) is N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide is O=C(NCc1cccc(CCl)c1)c1cc(O)ccc1O.
What is the InChIKey of N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide?
The InChIKey is RJWUUXQJWZKFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-8-10-2-1-3-11(6-10)9-17-15(20)13-7-12(18)4-5-14(13)19/h1-7,18-19H,8-9H2,(H,17,20).
What are the key properties of N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide?
N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide has a molecular weight of 291.73 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107725957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).