2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide

C19H20ClF2N3O — CID 58997345

IUPAC2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
SMILESCN1CCC(Nc2cccc(NC(=O)c3ccc(F)cc3Cl)c2F)CC1
InChIInChI=1S/C19H20ClF2N3O/c1-25-9-7-13(8-10-25)23-16-3-2-4-17(18(16)22)24-19(26)14-6-5-12(21)11-15(14)20/h2-6,11,13,23H,7-10H2,1H3,(H,24,26)
InChIKeyTZXKILOLIBDZGQ-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.38
Rot. Bonds4

About 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide

2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide (PubChem CID 58997345) has the molecular formula C19H20ClF2N3O and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
PubChem CID58997345
Molecular FormulaC19H20ClF2N3O
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
SMILESCN1CCC(Nc2cccc(NC(=O)c3ccc(F)cc3Cl)c2F)CC1
InChIInChI=1S/C19H20ClF2N3O/c1-25-9-7-13(8-10-25)23-16-3-2-4-17(18(16)22)24-19(26)14-6-5-12(21)11-15(14)20/h2-6,11,13,23H,7-10H2,1H3,(H,24,26)
InChIKeyTZXKILOLIBDZGQ-UHFFFAOYSA-N
XLogP4.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide
CID 69071911
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392
2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide
CID 142957017
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
CID 55900045
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 141257396
2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride
CID 69074598
2-chloro-4-fluoro-N-naphthalen-1-ylbenzamide
CID 26087324
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide (CID 58997345) is 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide is CN1CCC(Nc2cccc(NC(=O)c3ccc(F)cc3Cl)c2F)CC1.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide?
The InChIKey is TZXKILOLIBDZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O/c1-25-9-7-13(8-10-25)23-16-3-2-4-17(18(16)22)24-19(26)14-6-5-12(21)11-15(14)20/h2-6,11,13,23H,7-10H2,1H3,(H,24,26).
What are the key properties of 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide?
2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide has a molecular weight of 379.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 58997345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).