N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide

C16H14F3N3O2 — CID 89278624

IUPACN-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide
SMILESO=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1cncc(F)c1
InChIInChI=1S/C16H14F3N3O2/c17-10-5-11(7-20-6-10)21-15-12(3-4-13(18)14(15)19)16(23)22-24-8-9-1-2-9/h3-7,9,21H,1-2,8H2,(H,22,23)
InChIKeyQEQKOGBYVSJLRX-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.31
Rot. Bonds6

About N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide

N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide (PubChem CID 89278624) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide
PubChem CID89278624
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC NameN-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide
SMILESO=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1cncc(F)c1
InChIInChI=1S/C16H14F3N3O2/c17-10-5-11(7-20-6-10)21-15-12(3-4-13(18)14(15)19)16(23)22-24-8-9-1-2-9/h3-7,9,21H,1-2,8H2,(H,22,23)
InChIKeyQEQKOGBYVSJLRX-UHFFFAOYSA-N
XLogP3.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide
CID 24852482
2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;N-(cyclopropylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 173277062
2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide
CID 143653171
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
CID 44603204
3,4-difluoro-2-[(5-iodo-3-pyridinyl)amino]benzoic acid
CID 71104167
N-(cyclopropylmethoxy)-4-fluoro-2-nitrobenzamide
CID 139999053
2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide
CID 22271572
5-[bis(pyridin-3-ylmethyl)sulfamoyl]-N-(cyclopropylmethoxy)-3,4-difluoro-2-(4-iodoanilino)benzamide
CID 87966165
5-chloro-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 22271643
N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
CID 89353136
3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide
CID 58459128
5-[bis(pyridin-3-ylmethyl)sulfamoyl]-N-(cyclopropylmethoxy)-3,4-difluoro-2-(4-iodo-3-methylanilino)benzamide
CID 142653793

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide?
The IUPAC name of N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide (CID 89278624) is N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide?
The canonical SMILES for N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide is O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1cncc(F)c1.
What is the InChIKey of N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide?
The InChIKey is QEQKOGBYVSJLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-10-5-11(7-20-6-10)21-15-12(3-4-13(18)14(15)19)16(23)22-24-8-9-1-2-9/h3-7,9,21H,1-2,8H2,(H,22,23).
What are the key properties of N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide?
N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide has a molecular weight of 337.30 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide is sourced from PubChem (CID 89278624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).