4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide

C16H16ClFN2O — CID 43738724

IUPAC4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NCc2cccc(F)c2)c1
InChIInChI=1S/C16H16ClFN2O/c1-20(2)16(21)12-6-7-14(17)15(9-12)19-10-11-4-3-5-13(18)8-11/h3-9,19H,10H2,1-2H3
InChIKeyJHVKBWGEAHVWSJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.79
Rot. Bonds4

About 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide

4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 43738724) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID43738724
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NCc2cccc(F)c2)c1
InChIInChI=1S/C16H16ClFN2O/c1-20(2)16(21)12-6-7-14(17)15(9-12)19-10-11-4-3-5-13(18)8-11/h3-9,19H,10H2,1-2H3
InChIKeyJHVKBWGEAHVWSJ-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
4-[(3-fluorophenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 100763801
2-chloro-N-[(3-fluorophenyl)methyl]-5-methylsulfonylaniline
CID 43682077
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 79419901
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
4-chloro-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 17058963
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 28801952

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide (CID 43738724) is 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NCc2cccc(F)c2)c1.
What is the InChIKey of 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is JHVKBWGEAHVWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-20(2)16(21)12-6-7-14(17)15(9-12)19-10-11-4-3-5-13(18)8-11/h3-9,19H,10H2,1-2H3.
What are the key properties of 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide?
4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43738724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).