N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide

C14H11BrFNO2 — CID 104917477

IUPACN-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCc1ccc(Br)cc1)c1c(O)cccc1F
InChIInChI=1S/C14H11BrFNO2/c15-10-6-4-9(5-7-10)8-17-14(19)13-11(16)2-1-3-12(13)18/h1-7,18H,8H2,(H,17,19)
InChIKeyVQKXFYVDPHPVSS-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.22
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide

N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 104917477) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
PubChem CID104917477
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC NameN-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCc1ccc(Br)cc1)c1c(O)cccc1F
InChIInChI=1S/C14H11BrFNO2/c15-10-6-4-9(5-7-10)8-17-14(19)13-11(16)2-1-3-12(13)18/h1-7,18H,8H2,(H,17,19)
InChIKeyVQKXFYVDPHPVSS-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917207
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231275
1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456
N-[(3-chlorophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104916625
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107013740
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
CID 62649718
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide (CID 104917477) is N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide is O=C(NCc1ccc(Br)cc1)c1c(O)cccc1F.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is VQKXFYVDPHPVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-10-6-4-9(5-7-10)8-17-14(19)13-11(16)2-1-3-12(13)18/h1-7,18H,8H2,(H,17,19).
What are the key properties of N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide?
N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104917477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).