N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide

C14H11BrClNO2 — CID 114307203

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

About N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide

N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide (PubChem CID 114307203) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
PubChem CID114307203
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC NameN-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H11BrClNO2/c15-8-9-2-1-3-11(6-9)17-14(19)10-4-5-13(18)12(16)7-10/h1-7,18H,8H2,(H,17,19)
InChIKeyISVFBPUUKMSUOZ-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
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

N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide
CID 103212445
N-[3-(bromomethyl)phenyl]-3,5-dichlorobenzamide
CID 77231175
N-(3-acetylphenyl)-3-chloro-4-hydroxybenzamide
CID 24710986
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198
N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954
N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
CID 63121177
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299606
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide (CID 114307203) is N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide is O=C(Nc1cccc(CBr)c1)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide?
The InChIKey is ISVFBPUUKMSUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-8-9-2-1-3-11(6-9)17-14(19)10-4-5-13(18)12(16)7-10/h1-7,18H,8H2,(H,17,19).
What are the key properties of N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide?
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide has a molecular weight of 340.60 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 114307203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).