3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide

C15H13BrClNO2 — CID 103988533

IUPAC3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-20-9-10-4-2-5-11(8-10)18-15(19)12-6-3-7-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLSSDSRYKYNNDQM-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.50
Rot. Bonds4

About 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide

3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide (PubChem CID 103988533) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
PubChem CID103988533
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-20-9-10-4-2-5-11(8-10)18-15(19)12-6-3-7-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLSSDSRYKYNNDQM-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638343
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 78987937
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638662
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide
CID 107025437
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide (CID 103988533) is 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide is COCc1cccc(NC(=O)c2cccc(Br)c2Cl)c1.
What is the InChIKey of 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide?
The InChIKey is LSSDSRYKYNNDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-20-9-10-4-2-5-11(8-10)18-15(19)12-6-3-7-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide?
3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide has a molecular weight of 354.63 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide is sourced from PubChem (CID 103988533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).