2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide

C20H17ClFN3O — CID 113011791

IUPAC2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)cc1
InChIInChI=1S/C20H17ClFN3O/c1-13-5-7-14(8-6-13)11-23-18-10-9-15(12-24-18)25-20(26)19-16(21)3-2-4-17(19)22/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyNZAWPPBLKWIGET-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.05
Rot. Bonds5

About 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide

2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide (PubChem CID 113011791) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
PubChem CID113011791
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)cc1
InChIInChI=1S/C20H17ClFN3O/c1-13-5-7-14(8-6-13)11-23-18-10-9-15(12-24-18)25-20(26)19-16(21)3-2-4-17(19)22/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyNZAWPPBLKWIGET-UHFFFAOYSA-N
XLogP5.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760
2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013311
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013450
2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide (CID 113011791) is 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide is Cc1ccc(CNc2ccc(NC(=O)c3c(F)cccc3Cl)cn2)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
The InChIKey is NZAWPPBLKWIGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-13-5-7-14(8-6-13)11-23-18-10-9-15(12-24-18)25-20(26)19-16(21)3-2-4-17(19)22/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide?
2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide has a molecular weight of 369.83 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113011791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).