4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

C14H13BrClNO2 — CID 80976057

IUPAC4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H13BrClNO2/c1-9-11(5-6-19-9)8-17(2)14(18)10-3-4-12(15)13(16)7-10/h3-7H,8H2,1-2H3
InChIKeyHQUVHRMDMOXMLD-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.28
Rot. Bonds3

About 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (PubChem CID 80976057) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
PubChem CID80976057
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H13BrClNO2/c1-9-11(5-6-19-9)8-17(2)14(18)10-3-4-12(15)13(16)7-10/h3-7H,8H2,1-2H3
InChIKeyHQUVHRMDMOXMLD-UHFFFAOYSA-N
XLogP4.28
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755
4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 47379906
6-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 66463145
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 81295242
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380894
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426369
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 81226370
4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-nitrobenzamide
CID 61426456

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (CID 80976057) is 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is Cc1occc1CN(C)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The InChIKey is HQUVHRMDMOXMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-9-11(5-6-19-9)8-17(2)14(18)10-3-4-12(15)13(16)7-10/h3-7H,8H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide has a molecular weight of 342.62 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 80976057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).