N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide

C19H15Cl2F2N3O4 — CID 141476039

IUPACN-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c2c1NC(=O)C1(CCCC1)O2
InChIInChI=1S/C19H15Cl2F2N3O4/c20-10-7-24-8-11(21)14(10)25-16(27)9-3-4-12(29-18(22)23)15-13(9)26-17(28)19(30-15)5-1-2-6-19/h3-4,7-8,18H,1-2,5-6H2,(H,26,28)(H,24,25,27)
InChIKeyOYVDMSFHNMUYRM-UHFFFAOYSA-N
MW458.25 g/mol
LogP4.89
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide

N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide (PubChem CID 141476039) has the molecular formula C19H15Cl2F2N3O4 and a molecular weight of 458.25 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide
PubChem CID141476039
Molecular FormulaC19H15Cl2F2N3O4
Molecular Weight458.25 g/mol
Exact Mass457.04
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c2c1NC(=O)C1(CCCC1)O2
InChIInChI=1S/C19H15Cl2F2N3O4/c20-10-7-24-8-11(21)14(10)25-16(27)9-3-4-12(29-18(22)23)15-13(9)26-17(28)19(30-15)5-1-2-6-19/h3-4,7-8,18H,1-2,5-6H2,(H,26,28)(H,24,25,27)
InChIKeyOYVDMSFHNMUYRM-UHFFFAOYSA-N
XLogP4.89
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.25
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide
CID 141475962
(2S)-N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-2-ethyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 141476015
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 21187878
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 140646532
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one
CID 142950035
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide (CID 141476039) is N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide is O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c2c1NC(=O)C1(CCCC1)O2.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide?
The InChIKey is OYVDMSFHNMUYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F2N3O4/c20-10-7-24-8-11(21)14(10)25-16(27)9-3-4-12(29-18(22)23)15-13(9)26-17(28)19(30-15)5-1-2-6-19/h3-4,7-8,18H,1-2,5-6H2,(H,26,28)(H,24,25,27).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide has a molecular weight of 458.25 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide is sourced from PubChem (CID 141476039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).