2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide

C21H20FN3O — CID 112983699

IUPAC2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H20FN3O/c1-25(15-12-16-10-13-23-14-11-16)18-8-6-17(7-9-18)24-21(26)19-4-2-3-5-20(19)22/h2-11,13-14H,12,15H2,1H3,(H,24,26)
InChIKeyABVPRHNMPVZCQE-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.15
Rot. Bonds6

About 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide

2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide (PubChem CID 112983699) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
PubChem CID112983699
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H20FN3O/c1-25(15-12-16-10-13-23-14-11-16)18-8-6-17(7-9-18)24-21(26)19-4-2-3-5-20(19)22/h2-11,13-14H,12,15H2,1H3,(H,24,26)
InChIKeyABVPRHNMPVZCQE-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983725
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide
CID 112983683
3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983707
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
N-(2,6-difluorophenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214812
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983750
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide (CID 112983699) is 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide is CN(CCc1ccncc1)c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
The InChIKey is ABVPRHNMPVZCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-25(15-12-16-10-13-23-14-11-16)18-8-6-17(7-9-18)24-21(26)19-4-2-3-5-20(19)22/h2-11,13-14H,12,15H2,1H3,(H,24,26).
What are the key properties of 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide is sourced from PubChem (CID 112983699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).