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

C16H16ClFN2O — CID 43738722

IUPAC4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16ClFN2O/c1-20(2)16(21)12-5-8-14(17)15(9-12)19-10-11-3-6-13(18)7-4-11/h3-9,19H,10H2,1-2H3
InChIKeyQQHFAUDIRVSCOQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.79
Rot. Bonds4

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

4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 43738722) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID43738722
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16ClFN2O/c1-20(2)16(21)12-5-8-14(17)15(9-12)19-10-11-3-6-13(18)7-4-11/h3-9,19H,10H2,1-2H3
InChIKeyQQHFAUDIRVSCOQ-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-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738724
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
4-chloro-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 17058963
4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 79419901
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide
CID 38956500
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
4-chloro-3-[(4-methylphenyl)methylamino]benzoic acid
CID 17058925
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide (CID 43738722) is 4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NCc2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is QQHFAUDIRVSCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-20(2)16(21)12-5-8-14(17)15(9-12)19-10-11-3-6-13(18)7-4-11/h3-9,19H,10H2,1-2H3.
What are the key properties of 4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide?
4-chloro-3-[(4-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-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43738722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).