N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide

C17H18ClN3O2 — CID 5001692

IUPACN-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12(20-14-7-9-15(23-2)10-8-14)17(22)21-19-11-13-5-3-4-6-16(13)18/h3-12,20H,1-2H3,(H,21,22)
InChIKeyRGMXQXANQZSBIU-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.30
Rot. Bonds6

About N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide

N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide (PubChem CID 5001692) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
PubChem CID5001692
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12(20-14-7-9-15(23-2)10-8-14)17(22)21-19-11-13-5-3-4-6-16(13)18/h3-12,20H,1-2H3,(H,21,22)
InChIKeyRGMXQXANQZSBIU-UHFFFAOYSA-N
XLogP3.30
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135782070
(2S)-N-[(2-chlorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 1278023
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135679505
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 5063444
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3928053
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957570
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 40516210

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide (CID 5001692) is N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide is COc1ccc(NC(C)C(=O)NN=Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide?
The InChIKey is RGMXQXANQZSBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(20-14-7-9-15(23-2)10-8-14)17(22)21-19-11-13-5-3-4-6-16(13)18/h3-12,20H,1-2H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide?
N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide has a molecular weight of 331.80 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide is sourced from PubChem (CID 5001692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).