N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide

C15H15F2N3O4 — CID 54255513

IUPACN'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide
SMILESN#CC(NC(=O)C(N)=O)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C15H15F2N3O4/c16-15(17)24-11-4-3-9(5-12(11)23-7-8-1-2-8)10(6-18)20-14(22)13(19)21/h3-5,8,10,15H,1-2,7H2,(H2,19,21)(H,20,22)
InChIKeyQZTPVAHYMRHYGX-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.24
Rot. Bonds7

About N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide

N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide (PubChem CID 54255513) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide
PubChem CID54255513
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC NameN'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide
SMILESN#CC(NC(=O)C(N)=O)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C15H15F2N3O4/c16-15(17)24-11-4-3-9(5-12(11)23-7-8-1-2-8)10(6-18)20-14(22)13(19)21/h3-5,8,10,15H,1-2,7H2,(H2,19,21)(H,20,22)
InChIKeyQZTPVAHYMRHYGX-UHFFFAOYSA-N
XLogP1.24
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]amino]-2-oxoacetate
CID 54502547
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate
CID 169091022
2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
CID 174834345
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine
CID 68521776
dimethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]heptanedioate
CID 18973702
(3S)-3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propanamide
CID 124563407
methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate
CID 89485014
4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1-hydroxycyclohexane-1-carbonitrile
CID 141095883
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol
CID 68754552

Frequently Asked Questions

What is the IUPAC name of N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide?
The IUPAC name of N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide (CID 54255513) is N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide.
What is the SMILES notation for N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide?
The canonical SMILES for N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide is N#CC(NC(=O)C(N)=O)c1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide?
The InChIKey is QZTPVAHYMRHYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c16-15(17)24-11-4-3-9(5-12(11)23-7-8-1-2-8)10(6-18)20-14(22)13(19)21/h3-5,8,10,15H,1-2,7H2,(H2,19,21)(H,20,22).
What are the key properties of N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide?
N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide has a molecular weight of 339.30 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide is sourced from PubChem (CID 54255513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).