4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide

C16H16BrNO2 — CID 102851079

IUPAC4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CBr)cc1)c1cccc(O)c1
InChIInChI=1S/C16H16BrNO2/c1-11(14-3-2-4-15(19)9-14)18-16(20)13-7-5-12(10-17)6-8-13/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyJRZSNSJWCAAPNP-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.78
Rot. Bonds4

About 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide

4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide (PubChem CID 102851079) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
PubChem CID102851079
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CBr)cc1)c1cccc(O)c1
InChIInChI=1S/C16H16BrNO2/c1-11(14-3-2-4-15(19)9-14)18-16(20)13-7-5-12(10-17)6-8-13/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyJRZSNSJWCAAPNP-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.78
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-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide
CID 102851621
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
CID 60917725
6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040520
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
CID 46582184
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 103882711
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
CID 43791628

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide (CID 102851079) is 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(CBr)cc1)c1cccc(O)c1.
What is the InChIKey of 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
The InChIKey is JRZSNSJWCAAPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11(14-3-2-4-15(19)9-14)18-16(20)13-7-5-12(10-17)6-8-13/h2-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 102851079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).