2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane

C20H23F2NO — CID 142969641

IUPAC2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane
SMILESC=C(C)c1ccccc1NC(=O)c1ccccc1C(F)F.CCC
InChIInChI=1S/C17H15F2NO.C3H8/c1-11(2)12-7-5-6-10-15(12)20-17(21)14-9-4-3-8-13(14)16(18)19;1-3-2/h3-10,16H,1H2,2H3,(H,20,21);3H2,1-2H3
InChIKeyJKFBSTMINDZCHH-UHFFFAOYSA-N
MW331.41 g/mol
LogP6.33
Rot. Bonds4

About 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane

2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane (PubChem CID 142969641) has the molecular formula C20H23F2NO and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane
PubChem CID142969641
Molecular FormulaC20H23F2NO
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC Name2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane
SMILESC=C(C)c1ccccc1NC(=O)c1ccccc1C(F)F.CCC
InChIInChI=1S/C17H15F2NO.C3H8/c1-11(2)12-7-5-6-10-15(12)20-17(21)14-9-4-3-8-13(14)16(18)19;1-3-2/h3-10,16H,1H2,2H3,(H,20,21);3H2,1-2H3
InChIKeyJKFBSTMINDZCHH-UHFFFAOYSA-N
XLogP6.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.41
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-bromophenyl)-2-(difluoromethyl)benzamide;2-(difluoromethyl)-N-(2-hex-1-ynylphenyl)benzamide;hex-1-yne;bromide
CID 159531718
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
4-oxo-4-(2-prop-1-en-2-ylanilino)but-2-enoic acid
CID 54218562
2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide
CID 7337857
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
[2-(difluoromethyl)phenyl]carbamic acid
CID 122515078
2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide
CID 123240476
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane?
The IUPAC name of 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane (CID 142969641) is 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane.
What is the SMILES notation for 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane?
The canonical SMILES for 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane is C=C(C)c1ccccc1NC(=O)c1ccccc1C(F)F.CCC.
What is the InChIKey of 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane?
The InChIKey is JKFBSTMINDZCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO.C3H8/c1-11(2)12-7-5-6-10-15(12)20-17(21)14-9-4-3-8-13(14)16(18)19;1-3-2/h3-10,16H,1H2,2H3,(H,20,21);3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane?
2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane has a molecular weight of 331.41 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(2-prop-1-en-2-ylphenyl)benzamide;propane is sourced from PubChem (CID 142969641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).