N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide

C21H20FN3O — CID 35573441

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
SMILESCN(C)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1
InChIInChI=1S/C21H20FN3O/c1-24(2)19-12-6-16(7-13-19)15-25(20-5-3-4-14-23-20)21(26)17-8-10-18(22)11-9-17/h3-14H,15H2,1-2H3
InChIKeyJKGYIFVMDDPRIS-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.13
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide

N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide (PubChem CID 35573441) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
PubChem CID35573441
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
SMILESCN(C)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1
InChIInChI=1S/C21H20FN3O/c1-24(2)19-12-6-16(7-13-19)15-25(20-5-3-4-14-23-20)21(26)17-8-10-18(22)11-9-17/h3-14H,15H2,1-2H3
InChIKeyJKGYIFVMDDPRIS-UHFFFAOYSA-N
XLogP4.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 35573650
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 35574860
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-[(4-tert-butylphenyl)methyl]-3,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583072
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide
CID 35573668
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylpropanamide
CID 35672557
N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
CID 35574237
4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 154811127
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide
CID 134974389
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide (CID 35573441) is N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide is CN(C)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide?
The InChIKey is JKGYIFVMDDPRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-24(2)19-12-6-16(7-13-19)15-25(20-5-3-4-14-23-20)21(26)17-8-10-18(22)11-9-17/h3-14H,15H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide has a molecular weight of 349.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 35573441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).