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

C16H16ClNO2 — CID 107233515

IUPACN-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(CCl)cc2)c1O
InChIInChI=1S/C16H16ClNO2/c1-11-3-2-4-14(15(11)19)16(20)18-10-13-7-5-12(9-17)6-8-13/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyMWBZCPXRSUHIMU-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.37
Rot. Bonds4

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

N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide (PubChem CID 107233515) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
PubChem CID107233515
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(CCl)cc2)c1O
InChIInChI=1S/C16H16ClNO2/c1-11-3-2-4-14(15(11)19)16(20)18-10-13-7-5-12(9-17)6-8-13/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyMWBZCPXRSUHIMU-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzamide
CID 107984081
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 110909044
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydroxybenzamide
CID 114344540

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide (CID 107233515) is N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(CCl)cc2)c1O.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is MWBZCPXRSUHIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-3-2-4-14(15(11)19)16(20)18-10-13-7-5-12(9-17)6-8-13/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide?
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107233515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).