3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide

C14H12BrNO2 — CID 64794650

IUPAC3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CO)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrNO2/c15-12-3-1-2-11(8-12)14(18)16-13-6-4-10(9-17)5-7-13/h1-8,17H,9H2,(H,16,18)
InChIKeyKELSJKKGTGDTFK-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.19
Rot. Bonds3

About 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide

3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide (PubChem CID 64794650) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
PubChem CID64794650
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CO)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrNO2/c15-12-3-1-2-11(8-12)14(18)16-13-6-4-10(9-17)5-7-13/h1-8,17H,9H2,(H,16,18)
InChIKeyKELSJKKGTGDTFK-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-bromobenzamide
CID 62301577
4-[(3-bromobenzoyl)amino]benzoate
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3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
3-bromo-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 54790774
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
(E)-3-[4-[(3-bromobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411616
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide (CID 64794650) is 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide is O=C(Nc1ccc(CO)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide?
The InChIKey is KELSJKKGTGDTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-12-3-1-2-11(8-12)14(18)16-13-6-4-10(9-17)5-7-13/h1-8,17H,9H2,(H,16,18).
What are the key properties of 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide?
3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide has a molecular weight of 306.16 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 64794650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).