2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide

C17H18ClN3O — CID 5427982

IUPAC2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CNc1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C17H18ClN3O/c1-12-15(18)9-6-10-16(12)19-11-17(22)21-20-13(2)14-7-4-3-5-8-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-13+
InChIKeyJEUZIWRYQUWLFS-DEDYPNTBSA-N
MW315.80 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide

2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide (PubChem CID 5427982) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
PubChem CID5427982
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CNc1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C17H18ClN3O/c1-12-15(18)9-6-10-16(12)19-11-17(22)21-20-13(2)14-7-4-3-5-8-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-13+
InChIKeyJEUZIWRYQUWLFS-DEDYPNTBSA-N
XLogP3.60
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.60
H-Bond Donors ≤ 52
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

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide
CID 5427988
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824
N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
CID 968237
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-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide (CID 5427982) is 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide is C/C(=N\NC(=O)CNc1cccc(Cl)c1C)c1ccccc1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
The InChIKey is JEUZIWRYQUWLFS-DEDYPNTBSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-12-15(18)9-6-10-16(12)19-11-17(22)21-20-13(2)14-7-4-3-5-8-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-13+.
What are the key properties of 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide has a molecular weight of 315.80 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide is sourced from PubChem (CID 5427982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).