4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide

C25H26Cl2N4O2 — CID 143590075

IUPAC4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide
SMILESCC(C)/C(N)=C(\COc1ccc(-c2ccc(C(N)=O)cc2)cc1)N(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C25H26Cl2N4O2/c1-15(2)23(28)22(31(30)24-20(26)4-3-5-21(24)27)14-33-19-12-10-17(11-13-19)16-6-8-18(9-7-16)25(29)32/h3-13,15H,14,28,30H2,1-2H3,(H2,29,32)/b23-22-
InChIKeyNAABWKGPGQTKFS-FCQUAONHSA-N
MW485.42 g/mol
LogP5.34
Rot. Bonds8

About 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide

4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide (PubChem CID 143590075) has the molecular formula C25H26Cl2N4O2 and a molecular weight of 485.42 g/mol. Its IUPAC name is 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide
PubChem CID143590075
Molecular FormulaC25H26Cl2N4O2
Molecular Weight485.42 g/mol
Exact Mass484.14
IUPAC Name4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide
SMILESCC(C)/C(N)=C(\COc1ccc(-c2ccc(C(N)=O)cc2)cc1)N(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C25H26Cl2N4O2/c1-15(2)23(28)22(31(30)24-20(26)4-3-5-21(24)27)14-33-19-12-10-17(11-13-19)16-6-8-18(9-7-16)25(29)32/h3-13,15H,14,28,30H2,1-2H3,(H2,29,32)/b23-22-
InChIKeyNAABWKGPGQTKFS-FCQUAONHSA-N
XLogP5.34
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)acetamide
CID 5466907
2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide
CID 5466906
N-(2,6-Dichlorophenyl)-2-methyl-2-(4-(3-oxo-3-phenyl-1-propenyl)phenoxy)propanamide
CID 5467517
1-[2-[4-[[2-(2,6-Dichlorophenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]-3-methylphenyl]phenyl]ethanone
CID 71094382
4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide
CID 7959388
N-(2,6-dichlorophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 24355417
N-(2-chlorophenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4351928
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3-{[2-(2,4,6-trichlorophenyl)hydrazinyl]carbonyl}phenyl)acetamide
CID 4914118
4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide
CID 1002734
N-(2,5-dichlorophenyl)-3-[(4-isopropylphenoxy)methyl]benzamide
CID 1762994
4-[(4-chlorophenoxy)methyl]-N-(2,4-dichlorophenyl)benzamide
CID 4455185
N-(4-sec-butylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide
CID 4693519

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide?
The IUPAC name of 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide (CID 143590075) is 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide.
What is the SMILES notation for 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide?
The canonical SMILES for 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide is CC(C)/C(N)=C(\COc1ccc(-c2ccc(C(N)=O)cc2)cc1)N(N)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide?
The InChIKey is NAABWKGPGQTKFS-FCQUAONHSA-N. The full InChI is InChI=1S/C25H26Cl2N4O2/c1-15(2)23(28)22(31(30)24-20(26)4-3-5-21(24)27)14-33-19-12-10-17(11-13-19)16-6-8-18(9-7-16)25(29)32/h3-13,15H,14,28,30H2,1-2H3,(H2,29,32)/b23-22-.
What are the key properties of 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide?
4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide has a molecular weight of 485.42 g/mol, XLogP of 5.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-3-amino-2-(N-amino-2,6-dichloroanilino)-4-methylpent-2-enoxy]phenyl]benzamide is sourced from PubChem (CID 143590075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).