2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide

C16H12ClF2N3O2 — CID 59617959

IUPAC2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
SMILESO=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C16H12ClF2N3O2/c17-14-11(19)4-3-10(18)13(14)16(24)21-9-5-6-20-12(7-9)22-15(23)8-1-2-8/h3-8H,1-2H2,(H2,20,21,22,23,24)
InChIKeyIOFHSIJVVMMDAT-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.61
Rot. Bonds4

About 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide

2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide (PubChem CID 59617959) has the molecular formula C16H12ClF2N3O2 and a molecular weight of 351.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
PubChem CID59617959
Molecular FormulaC16H12ClF2N3O2
Molecular Weight351.74 g/mol
Exact Mass351.06
IUPAC Name2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
SMILESO=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C16H12ClF2N3O2/c17-14-11(19)4-3-10(18)13(14)16(24)21-9-5-6-20-12(7-9)22-15(23)8-1-2-8/h3-8H,1-2H2,(H2,20,21,22,23,24)
InChIKeyIOFHSIJVVMMDAT-UHFFFAOYSA-N
XLogP3.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
CID 59618347
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
2,4-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methoxybenzamide
CID 59618243
2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide
CID 59618586
2,6-dichloro-N-[2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618118
2,6-dichloro-N-[2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618440
2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-hydroxy-1,3-oxazolidin-3-yl)benzamide
CID 91321825
2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618232
2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
CID 68677654
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide
CID 70823746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide (CID 59617959) is 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide is O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(F)ccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide?
The InChIKey is IOFHSIJVVMMDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2/c17-14-11(19)4-3-10(18)13(14)16(24)21-9-5-6-20-12(7-9)22-15(23)8-1-2-8/h3-8H,1-2H2,(H2,20,21,22,23,24).
What are the key properties of 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide?
2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide has a molecular weight of 351.74 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide is sourced from PubChem (CID 59617959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).