N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide

C17H18ClN3O2 — CID 758746

IUPACN-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2cccc(C)c2)cc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-12-4-3-5-14(8-12)19-11-17(22)21-20-10-13-6-7-16(23-2)15(18)9-13/h3-10,19H,11H2,1-2H3,(H,21,22)
InChIKeyYCVOXKCSAFETBP-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.22
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide

N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide (PubChem CID 758746) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
PubChem CID758746
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2cccc(C)c2)cc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-12-4-3-5-14(8-12)19-11-17(22)21-20-10-13-6-7-16(23-2)15(18)9-13/h3-10,19H,11H2,1-2H3,(H,21,22)
InChIKeyYCVOXKCSAFETBP-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-methoxy-4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 3649631
methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 825894
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3765946
N-[(E)-(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 25251521
2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 4629127
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4991681
2-anilino-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136867320
2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135679320
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-chloroanilino)acetamide
CID 136697648
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135752411

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide (CID 758746) is N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide is COc1ccc(C=NNC(=O)CNc2cccc(C)c2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The InChIKey is YCVOXKCSAFETBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12-4-3-5-14(8-12)19-11-17(22)21-20-10-13-6-7-16(23-2)15(18)9-13/h3-10,19H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 758746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).