N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide

C17H17FN2O2 — CID 134039269

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-20(2)17(22)13-8-6-12(7-9-13)11-19-16(21)14-4-3-5-15(18)10-14/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyFTHPJXYYMWVHKD-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.46
Rot. Bonds4

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide (PubChem CID 134039269) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
PubChem CID134039269
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-20(2)17(22)13-8-6-12(7-9-13)11-19-16(21)14-4-3-5-15(18)10-14/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyFTHPJXYYMWVHKD-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide
CID 134039163
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
CID 4919610
3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide
CID 123879577
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618
4-[(3-fluorophenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 100763801
3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
CID 39162973
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741408
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide (CID 134039269) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide is CN(C)C(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide?
The InChIKey is FTHPJXYYMWVHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-20(2)17(22)13-8-6-12(7-9-13)11-19-16(21)14-4-3-5-15(18)10-14/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide has a molecular weight of 300.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 134039269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).