2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide

C17H11ClF2N4O2 — CID 59618232

IUPAC2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
SMILESN#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@@H]3C[C@@H]3F)c2)c(Cl)c1
InChIInChI=1S/C17H11ClF2N4O2/c18-11-3-8(7-21)4-13(20)15(11)17(26)23-9-1-2-22-14(5-9)24-16(25)10-6-12(10)19/h1-5,10,12H,6H2,(H2,22,23,24,25,26)/t10-,12+/m1/s1
InChIKeyNKALKXMQBFLGQI-PWSUYJOCSA-N
MW376.75 g/mol
LogP3.29
Rot. Bonds4

About 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide

2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide (PubChem CID 59618232) has the molecular formula C17H11ClF2N4O2 and a molecular weight of 376.75 g/mol. Its IUPAC name is 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
PubChem CID59618232
Molecular FormulaC17H11ClF2N4O2
Molecular Weight376.75 g/mol
Exact Mass376.05
IUPAC Name2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
SMILESN#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@@H]3C[C@@H]3F)c2)c(Cl)c1
InChIInChI=1S/C17H11ClF2N4O2/c18-11-3-8(7-21)4-13(20)15(11)17(26)23-9-1-2-22-14(5-9)24-16(25)10-6-12(10)19/h1-5,10,12H,6H2,(H2,22,23,24,25,26)/t10-,12+/m1/s1
InChIKeyNKALKXMQBFLGQI-PWSUYJOCSA-N
XLogP3.29
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.75
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide with MolForge

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Related Compounds

4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide
CID 70823746
4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618545
2,6-dichloro-N-[2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618118
2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide
CID 59618312
2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
CID 68677654
2,6-dichloro-N-[2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618440
2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
CID 59617959
4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
CID 59618347
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
CID 59618360
2,4-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methoxybenzamide
CID 59618243
1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide (CID 59618232) is 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide is N#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@@H]3C[C@@H]3F)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
The InChIKey is NKALKXMQBFLGQI-PWSUYJOCSA-N. The full InChI is InChI=1S/C17H11ClF2N4O2/c18-11-3-8(7-21)4-13(20)15(11)17(26)23-9-1-2-22-14(5-9)24-16(25)10-6-12(10)19/h1-5,10,12H,6H2,(H2,22,23,24,25,26)/t10-,12+/m1/s1.
What are the key properties of 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide has a molecular weight of 376.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 59618232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).