4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide

C14H11BrClNO2 — CID 114103935

IUPAC4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
SMILESO=C(Nc1cccc(CCl)c1)c1ccc(Br)c(O)c1
InChIInChI=1S/C14H11BrClNO2/c15-12-5-4-10(7-13(12)18)14(19)17-11-3-1-2-9(6-11)8-16/h1-7,18H,8H2,(H,17,19)
InChIKeyPSUHKPGNQAPPCX-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.15
Rot. Bonds3

About 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide

4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide (PubChem CID 114103935) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
PubChem CID114103935
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
SMILESO=C(Nc1cccc(CCl)c1)c1ccc(Br)c(O)c1
InChIInChI=1S/C14H11BrClNO2/c15-12-5-4-10(7-13(12)18)14(19)17-11-3-1-2-9(6-11)8-16/h1-7,18H,8H2,(H,17,19)
InChIKeyPSUHKPGNQAPPCX-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
N-(3-acetamidophenyl)-4-bromo-3-hydroxybenzamide
CID 103871323
4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide
CID 113342592
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 107619419
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
4-chloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzamide
CID 114025222
2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
CID 113270977
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
N-[3-(chloromethyl)phenyl]-4-(dimethylamino)benzamide
CID 114293242
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide (CID 114103935) is 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide is O=C(Nc1cccc(CCl)c1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide?
The InChIKey is PSUHKPGNQAPPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-12-5-4-10(7-13(12)18)14(19)17-11-3-1-2-9(6-11)8-16/h1-7,18H,8H2,(H,17,19).
What are the key properties of 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide?
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide has a molecular weight of 340.60 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide is sourced from PubChem (CID 114103935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).