N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

C15H10ClF6N3O — CID 4242902

IUPACN-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
SMILESO=C(NC(Nc1cccnc1Cl)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10ClF6N3O/c16-11-10(7-4-8-23-11)24-13(14(17,18)19,15(20,21)22)25-12(26)9-5-2-1-3-6-9/h1-8,24H,(H,25,26)
InChIKeyCXXDLZNKZRCFHO-UHFFFAOYSA-N
MW397.71 g/mol
LogP4.40
Rot. Bonds4

About N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide (PubChem CID 4242902) has the molecular formula C15H10ClF6N3O and a molecular weight of 397.71 g/mol. Its IUPAC name is N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
PubChem CID4242902
Molecular FormulaC15H10ClF6N3O
Molecular Weight397.71 g/mol
Exact Mass397.04
IUPAC NameN-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
SMILESO=C(NC(Nc1cccnc1Cl)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10ClF6N3O/c16-11-10(7-4-8-23-11)24-13(14(17,18)19,15(20,21)22)25-12(26)9-5-2-1-3-6-9/h1-8,24H,(H,25,26)
InChIKeyCXXDLZNKZRCFHO-UHFFFAOYSA-N
XLogP4.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.71
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chloro-2-methylanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
CID 3823783
N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 139076926
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
CID 1046762
N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide
CID 570257
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 837045
N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
CID 2817597
3-[(2-chloro-3-pyridinyl)amino]benzoic acid
CID 71564651
N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
CID 7389759
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-[(2-chloro-3-pyridinyl)amino]propanoic acid
CID 66174310

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The IUPAC name of N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide (CID 4242902) is N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide.
What is the SMILES notation for N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The canonical SMILES for N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide is O=C(NC(Nc1cccnc1Cl)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The InChIKey is CXXDLZNKZRCFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF6N3O/c16-11-10(7-4-8-23-11)24-13(14(17,18)19,15(20,21)22)25-12(26)9-5-2-1-3-6-9/h1-8,24H,(H,25,26).
What are the key properties of N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
N-[2-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide has a molecular weight of 397.71 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-[(2-chloro-3-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide is sourced from PubChem (CID 4242902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).