(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide

C16H12Cl2F2N2O2 — CID 20850503

IUPAC(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide
SMILESO=C(C/C=N/OCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12Cl2F2N2O2/c17-11-2-1-10(13(18)7-11)9-24-21-6-5-16(23)22-15-4-3-12(19)8-14(15)20/h1-4,6-8H,5,9H2,(H,22,23)/b21-6+
InChIKeyHQOROMAWUFAOML-AERZKKPOSA-N
MW373.19 g/mol
LogP4.80
Rot. Bonds6

About (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide

(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 20850503) has the molecular formula C16H12Cl2F2N2O2 and a molecular weight of 373.19 g/mol. Its IUPAC name is (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide
PubChem CID20850503
Molecular FormulaC16H12Cl2F2N2O2
Molecular Weight373.19 g/mol
Exact Mass372.02
IUPAC Name(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide
SMILESO=C(C/C=N/OCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12Cl2F2N2O2/c17-11-2-1-10(13(18)7-11)9-24-21-6-5-16(23)22-15-4-3-12(19)8-14(15)20/h1-4,6-8H,5,9H2,(H,22,23)/b21-6+
InChIKeyHQOROMAWUFAOML-AERZKKPOSA-N
XLogP4.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide
CID 20850504
1-[3-[(2,4-dichlorophenyl)methoxyimino]propanoylamino]-3-methylthiourea
CID 3372799
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
(3E)-N-[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-[(2,4-dichlorophenyl)methoxyimino]propanamide
CID 98340587
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349879
(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one
CID 6111445
N-(4-chloro-2-iodophenyl)-2-(2,4-difluorophenyl)acetamide
CID 103766816
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823562
[2-(2,4-difluoroanilino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7874263
[2-(2,4-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872967
[2-(2,4-difluoroanilino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7787269
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide (CID 20850503) is (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide is O=C(C/C=N/OCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F.
What is the InChIKey of (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is HQOROMAWUFAOML-AERZKKPOSA-N. The full InChI is InChI=1S/C16H12Cl2F2N2O2/c17-11-2-1-10(13(18)7-11)9-24-21-6-5-16(23)22-15-4-3-12(19)8-14(15)20/h1-4,6-8H,5,9H2,(H,22,23)/b21-6+.
What are the key properties of (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide?
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 373.19 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 20850503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).