N-butyl-2,4-difluoro-N-methylbenzamide

C12H15F2NO — CID 86978137

IUPACN-butyl-2,4-difluoro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-3-4-7-15(2)12(16)10-6-5-9(13)8-11(10)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyBHZTVIJCFUIUHT-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.84
Rot. Bonds4

About N-butyl-2,4-difluoro-N-methylbenzamide

N-butyl-2,4-difluoro-N-methylbenzamide (PubChem CID 86978137) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-butyl-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-2,4-difluoro-N-methylbenzamide
PubChem CID86978137
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-butyl-2,4-difluoro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-3-4-7-15(2)12(16)10-6-5-9(13)8-11(10)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyBHZTVIJCFUIUHT-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
CID 91717088
N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
3-[4-[butyl(methyl)carbamoyl]-3-fluorophenyl]prop-2-enoic acid
CID 76906813
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide
CID 113206223
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
N-butyl-N-(3-ethylhex-4-yn-3-yl)-2,4-difluorobenzamide
CID 21494508
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
4-(3-aminoprop-1-ynyl)-2-fluoro-N-methyl-N-pentylbenzamide
CID 60822103

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-difluoro-N-methylbenzamide?
The IUPAC name of N-butyl-2,4-difluoro-N-methylbenzamide (CID 86978137) is N-butyl-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-butyl-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-butyl-2,4-difluoro-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-butyl-2,4-difluoro-N-methylbenzamide?
The InChIKey is BHZTVIJCFUIUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-4-7-15(2)12(16)10-6-5-9(13)8-11(10)14/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-2,4-difluoro-N-methylbenzamide?
N-butyl-2,4-difluoro-N-methylbenzamide has a molecular weight of 227.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 86978137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).