N-butyl-N-(2,4-difluorophenyl)benzamide;titanium

C17H17F2NOTi — CID 174382924

IUPACN-butyl-N-(2,4-difluorophenyl)benzamide;titanium
SMILESCCCCN(C(=O)c1ccccc1)c1ccc(F)cc1F.[Ti]
InChIInChI=1S/C17H17F2NO.Ti/c1-2-3-11-20(16-10-9-14(18)12-15(16)19)17(21)13-7-5-4-6-8-13;/h4-10,12H,2-3,11H2,1H3;
InChIKeyXVXCZHINFYRKDY-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.41
Rot. Bonds5

About N-butyl-N-(2,4-difluorophenyl)benzamide;titanium

N-butyl-N-(2,4-difluorophenyl)benzamide;titanium (PubChem CID 174382924) has the molecular formula C17H17F2NOTi and a molecular weight of 337.19 g/mol. Its IUPAC name is N-butyl-N-(2,4-difluorophenyl)benzamide;titanium.

Molecular Properties

Compound NameN-butyl-N-(2,4-difluorophenyl)benzamide;titanium
PubChem CID174382924
Molecular FormulaC17H17F2NOTi
Molecular Weight337.19 g/mol
Exact Mass337.08
IUPAC NameN-butyl-N-(2,4-difluorophenyl)benzamide;titanium
SMILESCCCCN(C(=O)c1ccccc1)c1ccc(F)cc1F.[Ti]
InChIInChI=1S/C17H17F2NO.Ti/c1-2-3-11-20(16-10-9-14(18)12-15(16)19)17(21)13-7-5-4-6-8-13;/h4-10,12H,2-3,11H2,1H3;
InChIKeyXVXCZHINFYRKDY-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-2,4-difluoro-N-phenylaniline
CID 68652325
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
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N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide
CID 19980945
N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide
CID 2247556
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
2,4-difluoro-N-hexyl-N-nonylaniline
CID 22637380
4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide
CID 71458389
N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide
CID 71580940
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline
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3-bromo-N-butyl-N-phenylbenzamide
CID 17256559

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,4-difluorophenyl)benzamide;titanium?
The IUPAC name of N-butyl-N-(2,4-difluorophenyl)benzamide;titanium (CID 174382924) is N-butyl-N-(2,4-difluorophenyl)benzamide;titanium.
What is the SMILES notation for N-butyl-N-(2,4-difluorophenyl)benzamide;titanium?
The canonical SMILES for N-butyl-N-(2,4-difluorophenyl)benzamide;titanium is CCCCN(C(=O)c1ccccc1)c1ccc(F)cc1F.[Ti].
What is the InChIKey of N-butyl-N-(2,4-difluorophenyl)benzamide;titanium?
The InChIKey is XVXCZHINFYRKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO.Ti/c1-2-3-11-20(16-10-9-14(18)12-15(16)19)17(21)13-7-5-4-6-8-13;/h4-10,12H,2-3,11H2,1H3;.
What are the key properties of N-butyl-N-(2,4-difluorophenyl)benzamide;titanium?
N-butyl-N-(2,4-difluorophenyl)benzamide;titanium has a molecular weight of 337.19 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,4-difluorophenyl)benzamide;titanium is sourced from PubChem (CID 174382924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).