N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide

C16H10Cl3F2N3O2 — CID 167224847

IUPACN-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide
SMILESO=C(Nc1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl)c1cnc(F)c(F)c1
InChIInChI=1S/C16H10Cl3F2N3O2/c17-10-2-1-8(23-15(26)9-5-16(9,18)19)4-12(10)24-14(25)7-3-11(20)13(21)22-6-7/h1-4,6,9H,5H2,(H,23,26)(H,24,25)
InChIKeyLHQPDVDORMYRAD-UHFFFAOYSA-N
MW420.63 g/mol
LogP4.40
Rot. Bonds4

About N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide

N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide (PubChem CID 167224847) has the molecular formula C16H10Cl3F2N3O2 and a molecular weight of 420.63 g/mol. Its IUPAC name is N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide
PubChem CID167224847
Molecular FormulaC16H10Cl3F2N3O2
Molecular Weight420.63 g/mol
Exact Mass418.98
IUPAC NameN-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide
SMILESO=C(Nc1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl)c1cnc(F)c(F)c1
InChIInChI=1S/C16H10Cl3F2N3O2/c17-10-2-1-8(23-15(26)9-5-16(9,18)19)4-12(10)24-14(25)7-3-11(20)13(21)22-6-7/h1-4,6,9H,5H2,(H,23,26)(H,24,25)
InChIKeyLHQPDVDORMYRAD-UHFFFAOYSA-N
XLogP4.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]-5,6-difluoropyridine-3-carboxamide
CID 165144642
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide
CID 166988687
N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166992601
N-(5-acetamido-2,3,4-trifluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134417873
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 134418667
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide
CID 138653570
5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 12987868
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988628
N-[3-[(2-bromo-2,2-difluoroacetyl)amino]-2,4-difluorophenyl]-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134418265
N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 138652651

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide (CID 167224847) is N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide is O=C(Nc1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl)c1cnc(F)c(F)c1.
What is the InChIKey of N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide?
The InChIKey is LHQPDVDORMYRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3F2N3O2/c17-10-2-1-8(23-15(26)9-5-16(9,18)19)4-12(10)24-14(25)7-3-11(20)13(21)22-6-7/h1-4,6,9H,5H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide?
N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide has a molecular weight of 420.63 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide is sourced from PubChem (CID 167224847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).