4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide

C16H16ClNO2 — CID 107230293

IUPAC4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C16H16ClNO2/c17-9-12-5-7-15(8-6-12)16(20)18-10-13-1-3-14(11-19)4-2-13/h1-8,19H,9-11H2,(H,18,20)
InChIKeyWQTOZJMTFWWMEH-UHFFFAOYSA-N
MW289.76 g/mol
LogP2.85
Rot. Bonds5

About 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide

4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 107230293) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID107230293
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C16H16ClNO2/c17-9-12-5-7-15(8-6-12)16(20)18-10-13-1-3-14(11-19)4-2-13/h1-8,19H,9-11H2,(H,18,20)
InChIKeyWQTOZJMTFWWMEH-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.85
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

4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
CID 107233417
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
4-(hydroxymethyl)-N-[[4-[(3-hydroxypropylcarbamoylamino)methyl]phenyl]methyl]benzamide
CID 102124965
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233315
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 77087853

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (CID 107230293) is 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(CO)cc1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is WQTOZJMTFWWMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-9-12-5-7-15(8-6-12)16(20)18-10-13-1-3-14(11-19)4-2-13/h1-8,19H,9-11H2,(H,18,20).
What are the key properties of 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107230293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).