2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide

C21H19ClFN3O — CID 112983725

IUPAC2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C21H19ClFN3O/c1-26(14-11-15-9-12-24-13-10-15)17-7-5-16(6-8-17)25-21(27)20-18(22)3-2-4-19(20)23/h2-10,12-13H,11,14H2,1H3,(H,25,27)
InChIKeyVRQWEFQYSQNRPD-UHFFFAOYSA-N
MW383.85 g/mol
LogP4.81
Rot. Bonds6

About 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide

2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide (PubChem CID 112983725) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
PubChem CID112983725
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC Name2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C21H19ClFN3O/c1-26(14-11-15-9-12-24-13-10-15)17-7-5-16(6-8-17)25-21(27)20-18(22)3-2-4-19(20)23/h2-10,12-13H,11,14H2,1H3,(H,25,27)
InChIKeyVRQWEFQYSQNRPD-UHFFFAOYSA-N
XLogP4.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 54.81
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-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983699
2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042862
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide
CID 112983683
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983707
N-(2,6-difluorophenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214812
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
CID 112980490
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide (CID 112983725) is 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide is CN(CCc1ccncc1)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
The InChIKey is VRQWEFQYSQNRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c1-26(14-11-15-9-12-24-13-10-15)17-7-5-16(6-8-17)25-21(27)20-18(22)3-2-4-19(20)23/h2-10,12-13H,11,14H2,1H3,(H,25,27).
What are the key properties of 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide?
2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide has a molecular weight of 383.85 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide is sourced from PubChem (CID 112983725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).