N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide

C17H16F2N2O2 — CID 134039163

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-21(2)17(23)12-5-3-11(4-6-12)10-20-16(22)13-7-14(18)9-15(19)8-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyVHRMLOOJLPPOPF-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.60
Rot. Bonds4

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide (PubChem CID 134039163) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide
PubChem CID134039163
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-21(2)17(23)12-5-3-11(4-6-12)10-20-16(22)13-7-14(18)9-15(19)8-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyVHRMLOOJLPPOPF-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide
CID 87003303
4-[[[N-[2-(3,5-difluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111873979
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46422070
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079
N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide
CID 114313062

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide (CID 134039163) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide is CN(C)C(=O)c1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide?
The InChIKey is VHRMLOOJLPPOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-21(2)17(23)12-5-3-11(4-6-12)10-20-16(22)13-7-14(18)9-15(19)8-13/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide has a molecular weight of 318.32 g/mol, XLogP of 2.60, 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]-3,5-difluorobenzamide is sourced from PubChem (CID 134039163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).