2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide

C14H11BrClNO2 — CID 103765522

IUPAC2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1cccc(O)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClNO2/c15-13-7-10(16)4-5-12(13)14(19)17-8-9-2-1-3-11(18)6-9/h1-7,18H,8H2,(H,17,19)
InChIKeyXIECLDMFEBWRCK-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.74
Rot. Bonds3

About 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide

2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide (PubChem CID 103765522) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
PubChem CID103765522
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1cccc(O)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClNO2/c15-13-7-10(16)4-5-12(13)14(19)17-8-9-2-1-3-11(18)6-9/h1-7,18H,8H2,(H,17,19)
InChIKeyXIECLDMFEBWRCK-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
2-bromo-N-[(3-carbamothioylphenyl)methyl]-4-chlorobenzamide
CID 107987788
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
2-bromo-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292162
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113257865
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide (CID 103765522) is 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide is O=C(NCc1cccc(O)c1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide?
The InChIKey is XIECLDMFEBWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-13-7-10(16)4-5-12(13)14(19)17-8-9-2-1-3-11(18)6-9/h1-7,18H,8H2,(H,17,19).
What are the key properties of 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide?
2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide has a molecular weight of 340.60 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 103765522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).