N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide

C21H24F2N2O4 — CID 9215847

IUPACN-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccc(OCCC(C)C)cc2)c1OC(F)F
InChIInChI=1S/C21H24F2N2O4/c1-14(2)11-12-28-17-9-7-15(8-10-17)20(26)25-24-13-16-5-4-6-18(27-3)19(16)29-21(22)23/h4-10,13-14,21H,11-12H2,1-3H3,(H,25,26)/b24-13-
InChIKeyZMWIBBYDQRQQGD-CFRMEGHHSA-N
MW406.43 g/mol
LogP4.49
Rot. Bonds10

About N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide

N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide (PubChem CID 9215847) has the molecular formula C21H24F2N2O4 and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide
PubChem CID9215847
Molecular FormulaC21H24F2N2O4
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC NameN-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccc(OCCC(C)C)cc2)c1OC(F)F
InChIInChI=1S/C21H24F2N2O4/c1-14(2)11-12-28-17-9-7-15(8-10-17)20(26)25-24-13-16-5-4-6-18(27-3)19(16)29-21(22)23/h4-10,13-14,21H,11-12H2,1-3H3,(H,25,26)/b24-13-
InChIKeyZMWIBBYDQRQQGD-CFRMEGHHSA-N
XLogP4.49
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 9215041
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 9231738
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 9015092
N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927417
4-(3-methylbutoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4927366
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 8979784
(2S)-2-[2-methoxy-6-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249537
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 9077721
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
CID 4927464

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide (CID 9215847) is N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide is COc1cccc(/C=N\NC(=O)c2ccc(OCCC(C)C)cc2)c1OC(F)F.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide?
The InChIKey is ZMWIBBYDQRQQGD-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H24F2N2O4/c1-14(2)11-12-28-17-9-7-15(8-10-17)20(26)25-24-13-16-5-4-6-18(27-3)19(16)29-21(22)23/h4-10,13-14,21H,11-12H2,1-3H3,(H,25,26)/b24-13-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide?
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide has a molecular weight of 406.43 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 9215847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).