4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide

C14H10Br2ClNO — CID 114307309

IUPAC4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10Br2ClNO/c15-8-9-2-1-3-11(6-9)18-14(19)12-5-4-10(16)7-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyDJOAILRVFSGIRZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.25
Rot. Bonds3

About 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide

4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide (PubChem CID 114307309) has the molecular formula C14H10Br2ClNO and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
PubChem CID114307309
Molecular FormulaC14H10Br2ClNO
Molecular Weight403.50 g/mol
Exact Mass400.88
IUPAC Name4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10Br2ClNO/c15-8-9-2-1-3-11(6-9)18-14(19)12-5-4-10(16)7-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyDJOAILRVFSGIRZ-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 60509721
4-bromo-2-chloro-N-(3-ethynylphenyl)benzamide
CID 47278272
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366
5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638343
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
N-[3-(bromomethyl)phenyl]-3,5-dichlorobenzamide
CID 77231175
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43805481

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide?
The IUPAC name of 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide (CID 114307309) is 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide?
The canonical SMILES for 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide is O=C(Nc1cccc(CBr)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide?
The InChIKey is DJOAILRVFSGIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO/c15-8-9-2-1-3-11(6-9)18-14(19)12-5-4-10(16)7-13(12)17/h1-7H,8H2,(H,18,19).
What are the key properties of 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide?
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide has a molecular weight of 403.50 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 114307309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).