N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

C22H16F2N2O3 — CID 9464743

IUPACN-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2c(OC(F)F)ccc3ccccc23)oc2ccccc12
InChIInChI=1S/C22H16F2N2O3/c1-13-15-7-4-5-9-18(15)28-20(13)21(27)26-25-12-17-16-8-3-2-6-14(16)10-11-19(17)29-22(23)24/h2-12,22H,1H3,(H,26,27)/b25-12-
InChIKeyUOXMPRUISYMUEC-ROTLSHHCSA-N
MW394.38 g/mol
LogP5.26
Rot. Bonds5

About N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9464743) has the molecular formula C22H16F2N2O3 and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9464743
Molecular FormulaC22H16F2N2O3
Molecular Weight394.38 g/mol
Exact Mass394.11
IUPAC NameN-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2c(OC(F)F)ccc3ccccc23)oc2ccccc12
InChIInChI=1S/C22H16F2N2O3/c1-13-15-7-4-5-9-18(15)28-20(13)21(27)26-25-12-17-16-8-3-2-6-14(16)10-11-19(17)29-22(23)24/h2-12,22H,1H3,(H,26,27)/b25-12-
InChIKeyUOXMPRUISYMUEC-ROTLSHHCSA-N
XLogP5.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.38
LogP ≤ 55.26
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

N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide
CID 9078032
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464567
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464323
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464746
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 32592662
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
CID 9464616
N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464359
3-methyl-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-1-benzofuran-2-carboxamide
CID 9464531
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide
CID 177386306
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (CID 9464743) is N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N/N=C\c2c(OC(F)F)ccc3ccccc23)oc2ccccc12.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is UOXMPRUISYMUEC-ROTLSHHCSA-N. The full InChI is InChI=1S/C22H16F2N2O3/c1-13-15-7-4-5-9-18(15)28-20(13)21(27)26-25-12-17-16-8-3-2-6-14(16)10-11-19(17)29-22(23)24/h2-12,22H,1H3,(H,26,27)/b25-12-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9464743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).