N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide

C19H20Cl2N4O3 — CID 91096541

IUPACN-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
SMILESCON=C(CC(=O)/N=C(\N)Cc1cc(Cl)c(N)c(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H20Cl2N4O3/c1-27-13-5-3-12(4-6-13)16(25-28-2)10-18(26)24-17(22)9-11-7-14(20)19(23)15(21)8-11/h3-8H,9-10,23H2,1-2H3,(H2,22,24,26)
InChIKeyYAHXFUDCYBNHIT-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.45
Rot. Bonds7

About N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide

N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide (PubChem CID 91096541) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
PubChem CID91096541
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC NameN-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
SMILESCON=C(CC(=O)/N=C(\N)Cc1cc(Cl)c(N)c(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H20Cl2N4O3/c1-27-13-5-3-12(4-6-13)16(25-28-2)10-18(26)24-17(22)9-11-7-14(20)19(23)15(21)8-11/h3-8H,9-10,23H2,1-2H3,(H2,22,24,26)
InChIKeyYAHXFUDCYBNHIT-UHFFFAOYSA-N
XLogP3.45
TPSA112.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
CID 90714412
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
N-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
CID 148920853
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
(E)-1-(4-chlorophenyl)-N-methoxy-2-(4-methoxyphenyl)sulfinylethanimine
CID 6375107
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dimethoxybenzoate
CID 6386281
1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine
CID 11875143
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
N-(1,2-diaminoethylidene)-4-methoxybenzamide
CID 145143005
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-methoxybenzoate
CID 4210314
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
CID 5349145
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide (CID 91096541) is N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide is CON=C(CC(=O)/N=C(\N)Cc1cc(Cl)c(N)c(Cl)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
The InChIKey is YAHXFUDCYBNHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-27-13-5-3-12(4-6-13)16(25-28-2)10-18(26)24-17(22)9-11-7-14(20)19(23)15(21)8-11/h3-8H,9-10,23H2,1-2H3,(H2,22,24,26).
What are the key properties of N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide has a molecular weight of 423.30 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(4-amino-3,5-dichlorophenyl)ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 91096541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).