N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide

C17H16BrNO2 — CID 72610018

IUPACN-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide
SMILESCC=Cc1cc(C(=O)NCc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C17H16BrNO2/c1-2-3-13-10-14(6-9-16(13)20)17(21)19-11-12-4-7-15(18)8-5-12/h2-10,20H,11H2,1H3,(H,19,21)
InChIKeyXQNNRXGTJWGTDO-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.12
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide

N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide (PubChem CID 72610018) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide
PubChem CID72610018
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide
SMILESCC=Cc1cc(C(=O)NCc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C17H16BrNO2/c1-2-3-13-10-14(6-9-16(13)20)17(21)19-11-12-4-7-15(18)8-5-12/h2-10,20H,11H2,1H3,(H,19,21)
InChIKeyXQNNRXGTJWGTDO-UHFFFAOYSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 87468856
4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
CID 107233417
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115671047
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
CID 55816021
3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide (CID 72610018) is N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide is CC=Cc1cc(C(=O)NCc2ccc(Br)cc2)ccc1O.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide?
The InChIKey is XQNNRXGTJWGTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-2-3-13-10-14(6-9-16(13)20)17(21)19-11-12-4-7-15(18)8-5-12/h2-10,20H,11H2,1H3,(H,19,21).
What are the key properties of N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide?
N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide has a molecular weight of 346.22 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide is sourced from PubChem (CID 72610018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).