3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide

C19H15Cl2FN4O — CID 25218457

IUPAC3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H15Cl2FN4O/c1-11(24-18-10-23-9-17(21)26-18)12-3-2-4-14(7-12)25-19(27)13-5-6-16(22)15(20)8-13/h2-11H,1H3,(H,24,26)(H,25,27)/t11-/m0/s1
InChIKeyHSONIWQYAHOXJI-NSHDSACASA-N
MW405.26 g/mol
LogP5.35
Rot. Bonds5

About 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide

3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide (PubChem CID 25218457) has the molecular formula C19H15Cl2FN4O and a molecular weight of 405.26 g/mol. Its IUPAC name is 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide
PubChem CID25218457
Molecular FormulaC19H15Cl2FN4O
Molecular Weight405.26 g/mol
Exact Mass404.06
IUPAC Name3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H15Cl2FN4O/c1-11(24-18-10-23-9-17(21)26-18)12-3-2-4-14(7-12)25-19(27)13-5-6-16(22)15(20)8-13/h2-11H,1H3,(H,24,26)(H,25,27)/t11-/m0/s1
InChIKeyHSONIWQYAHOXJI-NSHDSACASA-N
XLogP5.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.26
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}pyridine-3-carboxamide
CID 25218446
N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}-2-methylpyridine-4-carboxamide
CID 25218452
(S)-N-(3-(1-((6-Chloropyrazin-2-YL)amino)ethyl)phenyl)-5-methylnicotinamide
CID 25218453
N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}benzamide
CID 25218455
(S)-N-(3-(1-(6-chloropyrazin-2-ylamino)ethyl)phenyl)-3-(trifluoromethyl)benzamide
CID 25218456
N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}-4-methylbenzamide
CID 25218458
(S)-N-(3-(1-(6-chloropyrazin-2-ylamino)ethyl)phenyl)-3-methylbenzamide
CID 25218459
N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}-2-fluoro-5-methylbenzamide
CID 25218460
3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide
CID 138544107
4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
CID 2768252
ST50631408
CID 3929829
N-[2-[4-(5-chloropyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788942

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide (CID 25218457) is 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide is C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide?
The InChIKey is HSONIWQYAHOXJI-NSHDSACASA-N. The full InChI is InChI=1S/C19H15Cl2FN4O/c1-11(24-18-10-23-9-17(21)26-18)12-3-2-4-14(7-12)25-19(27)13-5-6-16(22)15(20)8-13/h2-11H,1H3,(H,24,26)(H,25,27)/t11-/m0/s1.
What are the key properties of 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide?
3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide has a molecular weight of 405.26 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 25218457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).