(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide

C17H17Cl2N3O — CID 7072993

IUPAC(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
SMILESCc1ccc(/C=N\NC(=O)[C@@H](C)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O/c1-11-3-5-13(6-4-11)10-20-22-17(23)12(2)21-14-7-8-15(18)16(19)9-14/h3-10,12,21H,1-2H3,(H,22,23)/b20-10-/t12-/m1/s1
InChIKeyVWLZCUXJTZABJV-SVKBEJCWSA-N
MW350.25 g/mol
LogP4.25
Rot. Bonds5

About (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide

(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide (PubChem CID 7072993) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
PubChem CID7072993
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
SMILESCc1ccc(/C=N\NC(=O)[C@@H](C)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O/c1-11-3-5-13(6-4-11)10-20-22-17(23)12(2)21-14-7-8-15(18)16(19)9-14/h3-10,12,21H,1-2H3,(H,22,23)/b20-10-/t12-/m1/s1
InChIKeyVWLZCUXJTZABJV-SVKBEJCWSA-N
XLogP4.25
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.25
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

(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670442
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390587
(2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
CID 5403284
(2R)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
CID 763383
(2S)-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670500
N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 4571509
2-(3-chloroanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135719968
2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 5081987
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 7784433
(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136851943
(2R)-2-(3,4-dichloroanilino)propanehydrazide
CID 946902

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide (CID 7072993) is (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide is Cc1ccc(/C=N\NC(=O)[C@@H](C)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide?
The InChIKey is VWLZCUXJTZABJV-SVKBEJCWSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c1-11-3-5-13(6-4-11)10-20-22-17(23)12(2)21-14-7-8-15(18)16(19)9-14/h3-10,12,21H,1-2H3,(H,22,23)/b20-10-/t12-/m1/s1.
What are the key properties of (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide?
(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide has a molecular weight of 350.25 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 7072993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).