N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide

C17H16F2N2O3 — CID 9359355

IUPACN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H16F2N2O3/c1-11(12-3-9-15(10-4-12)24-17(18)19)20-21-16(22)13-5-7-14(23-2)8-6-13/h3-10,17H,1-2H3,(H,21,22)/b20-11-
InChIKeyDDNWONLHQSVDEJ-JAIQZWGSSA-N
MW334.32 g/mol
LogP3.45
Rot. Bonds6

About N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide

N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide (PubChem CID 9359355) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
PubChem CID9359355
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H16F2N2O3/c1-11(12-3-9-15(10-4-12)24-17(18)19)20-21-16(22)13-5-7-14(23-2)8-6-13/h3-10,17H,1-2H3,(H,21,22)/b20-11-
InChIKeyDDNWONLHQSVDEJ-JAIQZWGSSA-N
XLogP3.45
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6113890
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175
N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 42991318
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 4216465
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide
CID 9214852
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide (CID 9359355) is N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C(/C)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide?
The InChIKey is DDNWONLHQSVDEJ-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-11(12-3-9-15(10-4-12)24-17(18)19)20-21-16(22)13-5-7-14(23-2)8-6-13/h3-10,17H,1-2H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide?
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide has a molecular weight of 334.32 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 9359355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).