N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide

C20H14ClFN4O2 — CID 91942882

IUPACN-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide
SMILESO=C(C=Cc1cncc(F)c1)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H14ClFN4O2/c21-14-6-7-18(24-11-14)26-20(28)16-3-1-2-4-17(16)25-19(27)8-5-13-9-15(22)12-23-10-13/h1-12H,(H,25,27)(H,24,26,28)
InChIKeyNVSOKCIFKMIJDM-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.17
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide

N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide (PubChem CID 91942882) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide
PubChem CID91942882
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide
SMILESO=C(C=Cc1cncc(F)c1)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H14ClFN4O2/c21-14-6-7-18(24-11-14)26-20(28)16-3-1-2-4-17(16)25-19(27)8-5-13-9-15(22)12-23-10-13/h1-12H,(H,25,27)(H,24,26,28)
InChIKeyNVSOKCIFKMIJDM-UHFFFAOYSA-N
XLogP4.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide
CID 72687525
(E)-N-(5-chloro-2-pyridinyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 10150578
N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 26254416
N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
CID 76869971
N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide
CID 54529053
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide (CID 91942882) is N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide is O=C(C=Cc1cncc(F)c1)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide?
The InChIKey is NVSOKCIFKMIJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-14-6-7-18(24-11-14)26-20(28)16-3-1-2-4-17(16)25-19(27)8-5-13-9-15(22)12-23-10-13/h1-12H,(H,25,27)(H,24,26,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide has a molecular weight of 396.81 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 91942882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).