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

C15H13BrClNO2 — CID 32638343

IUPAC5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-20-9-10-3-2-4-12(7-10)18-15(19)13-8-11(16)5-6-14(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJVPPCXNJGFMPCJ-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.50
Rot. Bonds4

About 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide

5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide (PubChem CID 32638343) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
PubChem CID32638343
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-20-9-10-3-2-4-12(7-10)18-15(19)13-8-11(16)5-6-14(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJVPPCXNJGFMPCJ-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

4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 78987937
3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 103988533
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
4-bromo-N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 78988027
5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34378925
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide (CID 32638343) is 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide is COCc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide?
The InChIKey is JVPPCXNJGFMPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-20-9-10-3-2-4-12(7-10)18-15(19)13-8-11(16)5-6-14(13)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide?
5-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 5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide is sourced from PubChem (CID 32638343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).