N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium

C15H20F2NOTi- — CID 174383944

IUPACN-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium
SMILESCCCCN(C(=O)C(C)(C)C)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C15H20F2NO.Ti/c1-5-6-9-18(14(19)15(2,3)4)13-8-7-11(16)10-12(13)17;/h7-8H,5-6,9H2,1-4H3;/q-1;
InChIKeyPERYDOBBPATAOF-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.94
Rot. Bonds4

About N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium

N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium (PubChem CID 174383944) has the molecular formula C15H20F2NOTi- and a molecular weight of 316.19 g/mol. Its IUPAC name is N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium.

Molecular Properties

Compound NameN-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium
PubChem CID174383944
Molecular FormulaC15H20F2NOTi-
Molecular Weight316.19 g/mol
Exact Mass316.10
IUPAC NameN-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium
SMILESCCCCN(C(=O)C(C)(C)C)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C15H20F2NO.Ti/c1-5-6-9-18(14(19)15(2,3)4)13-8-7-11(16)10-12(13)17;/h7-8H,5-6,9H2,1-4H3;/q-1;
InChIKeyPERYDOBBPATAOF-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bis(cyclopenta-1,3-diene);bis(N-(2,4-difluorobenzene-3-id-1-yl)-N-hexyl-2,2-dimethylpentanamide);titanium(4+)
CID 154421276
N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide
CID 71580940
N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579565
N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide
CID 19980945
bis(N-[2-(2-butoxyethoxy)ethyl]-N-(2,4-difluorobenzene-3-id-1-yl)benzamide);bis(cyclopenta-1,3-diene);titanium(4+)
CID 141274212
2-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-[(4-methylphenyl)methyl]benzamide;titanium
CID 174393948
bis(cyclopenta-1,3-diene);bis(N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethyl-N-(4-methylphenyl)pentanamide);titanium(4+)
CID 172815066
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
3-[[2-[butyl(2,2-dimethylpropanoyl)amino]phenyl]sulfanylmethyl]benzamide
CID 142876930
N-butyl-N-(2,4-difluorophenyl)benzamide;titanium
CID 174382924
N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium
CID 174394357
N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide
CID 18736065

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium?
The IUPAC name of N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium (CID 174383944) is N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium.
What is the SMILES notation for N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium?
The canonical SMILES for N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium is CCCCN(C(=O)C(C)(C)C)c1ccc(F)[c-]c1F.[Ti].
What is the InChIKey of N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium?
The InChIKey is PERYDOBBPATAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2NO.Ti/c1-5-6-9-18(14(19)15(2,3)4)13-8-7-11(16)10-12(13)17;/h7-8H,5-6,9H2,1-4H3;/q-1;.
What are the key properties of N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium?
N-butyl-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium has a molecular weight of 316.19 g/mol, XLogP of 3.94, 4 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-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium is sourced from PubChem (CID 174383944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).