N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium

C16H14F2NO2Ti- — CID 174393945

IUPACN-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium
SMILESCOCCN(C(=O)c1ccccc1)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C16H14F2NO2.Ti/c1-21-10-9-19(15-8-7-13(17)11-14(15)18)16(20)12-5-3-2-4-6-12;/h2-8H,9-10H2,1H3;/q-1;
InChIKeyCRUPNWZRJDGAAW-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.06
Rot. Bonds5

About N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium

N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium (PubChem CID 174393945) has the molecular formula C16H14F2NO2Ti- and a molecular weight of 338.16 g/mol. Its IUPAC name is N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium.

Molecular Properties

Compound NameN-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium
PubChem CID174393945
Molecular FormulaC16H14F2NO2Ti-
Molecular Weight338.16 g/mol
Exact Mass338.05
IUPAC NameN-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium
SMILESCOCCN(C(=O)c1ccccc1)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C16H14F2NO2.Ti/c1-21-10-9-19(15-8-7-13(17)11-14(15)18)16(20)12-5-3-2-4-6-12;/h2-8H,9-10H2,1H3;/q-1;
InChIKeyCRUPNWZRJDGAAW-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(N-[2-(2-butoxyethoxy)ethyl]-N-(2,4-difluorobenzene-3-id-1-yl)benzamide);bis(cyclopenta-1,3-diene);titanium(4+)
CID 141274212
N-butyl-N-(2,4-difluorophenyl)benzamide;titanium
CID 174382924
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate
CID 58298665
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide
CID 130328320
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(2-hydroxyethyl)-N-(2-methylphenyl)benzamide
CID 91188754
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
3-[benzoyl(3-methoxypropyl)amino]propanoic acid
CID 82324502
1-(2-methoxyethyl)-3-methyl-1-phenylurea
CID 143444649
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium?
The IUPAC name of N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium (CID 174393945) is N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium.
What is the SMILES notation for N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium?
The canonical SMILES for N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium is COCCN(C(=O)c1ccccc1)c1ccc(F)[c-]c1F.[Ti].
What is the InChIKey of N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium?
The InChIKey is CRUPNWZRJDGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2NO2.Ti/c1-21-10-9-19(15-8-7-13(17)11-14(15)18)16(20)12-5-3-2-4-6-12;/h2-8H,9-10H2,1H3;/q-1;.
What are the key properties of N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium?
N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium has a molecular weight of 338.16 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorobenzene-3-id-1-yl)-N-(2-methoxyethyl)benzamide;titanium is sourced from PubChem (CID 174393945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).