N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium

C22H35F2NOTi — CID 174394357

IUPACN-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium
SMILESCCCCC(CC)CCN(C(=O)C(C)(C)CCC)c1ccc(F)cc1F.[Ti]
InChIInChI=1S/C22H35F2NO.Ti/c1-6-9-10-17(8-3)13-15-25(21(26)22(4,5)14-7-2)20-12-11-18(23)16-19(20)24;/h11-12,16-17H,6-10,13-15H2,1-5H3;
InChIKeyMSIJDXULZRZLQL-UHFFFAOYSA-N
MW415.39 g/mol
LogP6.73
Rot. Bonds11

About N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium

N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium (PubChem CID 174394357) has the molecular formula C22H35F2NOTi and a molecular weight of 415.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium
PubChem CID174394357
Molecular FormulaC22H35F2NOTi
Molecular Weight415.39 g/mol
Exact Mass415.22
IUPAC NameN-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium
SMILESCCCCC(CC)CCN(C(=O)C(C)(C)CCC)c1ccc(F)cc1F.[Ti]
InChIInChI=1S/C22H35F2NO.Ti/c1-6-9-10-17(8-3)13-15-25(21(26)22(4,5)14-7-2)20-12-11-18(23)16-19(20)24;/h11-12,16-17H,6-10,13-15H2,1-5H3;
InChIKeyMSIJDXULZRZLQL-UHFFFAOYSA-N
XLogP6.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.39
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
N-(2,4-difluorophenyl)-N-(6-hydroxyhexyl)-2,2-dimethylpropanamide
CID 71580940
N-(3-ethylheptyl)-2,5-difluoro-N-hexylaniline
CID 18388713
N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide
CID 91717598
1-(2,4-difluorophenyl)-4-ethyloctan-2-one
CID 64558686
N-butyl-N-(2,4-difluorophenyl)benzamide;titanium
CID 174382924
N-(2,4-difluorophenyl)-2,2-dimethyl-N-(3-phenylpropyl)propanamide
CID 19980945
N-(2,4-difluorophenyl)-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579565
(2R)-4-(2,4-difluoroanilino)-2-[[(2R)-2-ethylhexyl]amino]-4-oxobutanoic acid
CID 7592581
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
4-(2-ethylhexylamino)-3-fluorobenzoic acid
CID 114004413
2,4-difluoro-N-hexyl-N-nonylaniline
CID 22637380

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium?
The IUPAC name of N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium (CID 174394357) is N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium?
The canonical SMILES for N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium is CCCCC(CC)CCN(C(=O)C(C)(C)CCC)c1ccc(F)cc1F.[Ti].
What is the InChIKey of N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium?
The InChIKey is MSIJDXULZRZLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F2NO.Ti/c1-6-9-10-17(8-3)13-15-25(21(26)22(4,5)14-7-2)20-12-11-18(23)16-19(20)24;/h11-12,16-17H,6-10,13-15H2,1-5H3;.
What are the key properties of N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium?
N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium has a molecular weight of 415.39 g/mol, XLogP of 6.73, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide;titanium is sourced from PubChem (CID 174394357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).