N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide

C14H12ClF2N3O — CID 63187369

IUPACN-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
SMILESCCNc1c(F)cc(C(=O)Nc2ccc(Cl)cn2)cc1F
InChIInChI=1S/C14H12ClF2N3O/c1-2-18-13-10(16)5-8(6-11(13)17)14(21)20-12-4-3-9(15)7-19-12/h3-7,18H,2H2,1H3,(H,19,20,21)
InChIKeyJDAGYZUMXYCTSN-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.70
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide

N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide (PubChem CID 63187369) has the molecular formula C14H12ClF2N3O and a molecular weight of 311.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
PubChem CID63187369
Molecular FormulaC14H12ClF2N3O
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
SMILESCCNc1c(F)cc(C(=O)Nc2ccc(Cl)cn2)cc1F
InChIInChI=1S/C14H12ClF2N3O/c1-2-18-13-10(16)5-8(6-11(13)17)14(21)20-12-4-3-9(15)7-19-12/h3-7,18H,2H2,1H3,(H,19,20,21)
InChIKeyJDAGYZUMXYCTSN-UHFFFAOYSA-N
XLogP3.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640067
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
CID 63187094
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
CID 2988082
N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615093
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389554
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide (CID 63187369) is N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide is CCNc1c(F)cc(C(=O)Nc2ccc(Cl)cn2)cc1F.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide?
The InChIKey is JDAGYZUMXYCTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O/c1-2-18-13-10(16)5-8(6-11(13)17)14(21)20-12-4-3-9(15)7-19-12/h3-7,18H,2H2,1H3,(H,19,20,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide?
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide has a molecular weight of 311.72 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide is sourced from PubChem (CID 63187369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).