2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide

C17H18ClN3O3 — CID 136662908

IUPAC2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(O)c(/C=N\NC(=O)CNc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H18ClN3O3/c1-11-7-13(18)3-5-15(11)19-10-17(23)21-20-9-12-8-14(24-2)4-6-16(12)22/h3-9,19,22H,10H2,1-2H3,(H,21,23)/b20-9-
InChIKeyCKTWYTCONKODQL-UKWGHVSLSA-N
MW347.80 g/mol
LogP2.92
Rot. Bonds6

About 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide

2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide (PubChem CID 136662908) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
PubChem CID136662908
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(O)c(/C=N\NC(=O)CNc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H18ClN3O3/c1-11-7-13(18)3-5-15(11)19-10-17(23)21-20-9-12-8-14(24-2)4-6-16(12)22/h3-9,19,22H,10H2,1-2H3,(H,21,23)/b20-9-
InChIKeyCKTWYTCONKODQL-UKWGHVSLSA-N
XLogP2.92
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(4-chloro-2-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3564637
4-chloro-N-[2-[2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3946515
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135678709
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]butanediamide
CID 135567726
2-(4-chloro-2-methylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135719923
2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 770382
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135752411
2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6110623
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 6277132
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135821656
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630450

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide (CID 136662908) is 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide is COc1ccc(O)c(/C=N\NC(=O)CNc2ccc(Cl)cc2C)c1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is CKTWYTCONKODQL-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11-7-13(18)3-5-15(11)19-10-17(23)21-20-9-12-8-14(24-2)4-6-16(12)22/h3-9,19,22H,10H2,1-2H3,(H,21,23)/b20-9-.
What are the key properties of 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 347.80 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136662908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).