N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide

C17H19ClN4O — CID 5427988

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1cccc(Cl)c1C)c1ccc(N)cc1
InChIInChI=1S/C17H19ClN4O/c1-11-15(18)4-3-5-16(11)20-10-17(23)22-21-12(2)13-6-8-14(19)9-7-13/h3-9,20H,10,19H2,1-2H3,(H,22,23)/b21-12+
InChIKeyKWKDVCKAEKNVGT-CIAFOILYSA-N
MW330.82 g/mol
LogP3.18
Rot. Bonds5

About N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide (PubChem CID 5427988) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide
PubChem CID5427988
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1cccc(Cl)c1C)c1ccc(N)cc1
InChIInChI=1S/C17H19ClN4O/c1-11-15(18)4-3-5-16(11)20-10-17(23)22-21-12(2)13-6-8-14(19)9-7-13/h3-9,20H,10,19H2,1-2H3,(H,22,23)/b21-12+
InChIKeyKWKDVCKAEKNVGT-CIAFOILYSA-N
XLogP3.18
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5427982
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824
N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3419515
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 5416756
N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
CID 968237
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781202
N'-[1-(4-aminophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 3368990

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide (CID 5427988) is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide is C/C(=N\NC(=O)CNc1cccc(Cl)c1C)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide?
The InChIKey is KWKDVCKAEKNVGT-CIAFOILYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-11-15(18)4-3-5-16(11)20-10-17(23)22-21-12(2)13-6-8-14(19)9-7-13/h3-9,20H,10,19H2,1-2H3,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide is sourced from PubChem (CID 5427988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).