4-bromo-2-fluoro-N-methyl-N-propylbenzamide

C11H13BrFNO — CID 43271494

IUPAC4-bromo-2-fluoro-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-3-6-14(2)11(15)9-5-4-8(12)7-10(9)13/h4-5,7H,3,6H2,1-2H3
InChIKeyNHHPJVDZJMMSBG-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.07
Rot. Bonds3

About 4-bromo-2-fluoro-N-methyl-N-propylbenzamide

4-bromo-2-fluoro-N-methyl-N-propylbenzamide (PubChem CID 43271494) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-methyl-N-propylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-methyl-N-propylbenzamide
PubChem CID43271494
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-bromo-2-fluoro-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-3-6-14(2)11(15)9-5-4-8(12)7-10(9)13/h4-5,7H,3,6H2,1-2H3
InChIKeyNHHPJVDZJMMSBG-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide
CID 107022449
4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 60956172
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
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N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
4-bromo-N-[(3-bromocyclobutyl)methyl]-2-fluoro-N-methylbenzamide
CID 80673461
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-methyl-N-propylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-N-methyl-N-propylbenzamide (CID 43271494) is 4-bromo-2-fluoro-N-methyl-N-propylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-methyl-N-propylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-methyl-N-propylbenzamide is CCCN(C)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-methyl-N-propylbenzamide?
The InChIKey is NHHPJVDZJMMSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-3-6-14(2)11(15)9-5-4-8(12)7-10(9)13/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-N-methyl-N-propylbenzamide?
4-bromo-2-fluoro-N-methyl-N-propylbenzamide has a molecular weight of 274.13 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-methyl-N-propylbenzamide is sourced from PubChem (CID 43271494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).