N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide

C18H15Cl2F2N3O4 — CID 141475962

IUPACN-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide
SMILESCC(C)C1Oc2c(OC(F)F)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2NC1=O
InChIInChI=1S/C18H15Cl2F2N3O4/c1-7(2)14-17(27)24-12-8(3-4-11(15(12)29-14)28-18(21)22)16(26)25-13-9(19)5-23-6-10(13)20/h3-7,14,18H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyDYCNTDIKOCLMAC-UHFFFAOYSA-N
MW446.24 g/mol
LogP4.60
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide

N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide (PubChem CID 141475962) has the molecular formula C18H15Cl2F2N3O4 and a molecular weight of 446.24 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide
PubChem CID141475962
Molecular FormulaC18H15Cl2F2N3O4
Molecular Weight446.24 g/mol
Exact Mass445.04
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide
SMILESCC(C)C1Oc2c(OC(F)F)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2NC1=O
InChIInChI=1S/C18H15Cl2F2N3O4/c1-7(2)14-17(27)24-12-8(3-4-11(15(12)29-14)28-18(21)22)16(26)25-13-9(19)5-23-6-10(13)20/h3-7,14,18H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyDYCNTDIKOCLMAC-UHFFFAOYSA-N
XLogP4.60
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.24
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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)-8-(difluoromethoxy)-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-5-carboxamide
CID 141476039
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
ethyl 8-(difluoromethoxy)-2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 141476057
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
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)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
N-[(1E,3Z)-2,4-dichloro-1-(methylideneamino)penta-1,3-dien-3-yl]-8-(difluoromethoxy)-2-(1-hydroxycyclohexyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 129074122
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide (CID 141475962) is N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide is CC(C)C1Oc2c(OC(F)F)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2NC1=O.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide?
The InChIKey is DYCNTDIKOCLMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F2N3O4/c1-7(2)14-17(27)24-12-8(3-4-11(15(12)29-14)28-18(21)22)16(26)25-13-9(19)5-23-6-10(13)20/h3-7,14,18H,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide has a molecular weight of 446.24 g/mol, XLogP of 4.60, 5 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-oxo-2-propan-2-yl-4H-1,4-benzoxazine-5-carboxamide is sourced from PubChem (CID 141475962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).