2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide

C19H21ClN4O2 — CID 6893412

IUPAC2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN4O2/c1-24(2)15-9-7-14(8-10-15)13-22-23-18(25)11-12-21-19(26)16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,26)(H,23,25)/b22-13+
InChIKeyHBRPRQZHRJMWHU-LPYMAVHISA-N
MW372.86 g/mol
LogP2.68
Rot. Bonds7

About 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide

2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 6893412) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID6893412
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN4O2/c1-24(2)15-9-7-14(8-10-15)13-22-23-18(25)11-12-21-19(26)16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,26)(H,23,25)/b22-13+
InChIKeyHBRPRQZHRJMWHU-LPYMAVHISA-N
XLogP2.68
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.68
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

N-[3-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 3942359
2-chloro-N-[2-[2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3943477
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
2-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3436111
2-chloro-N-[3-[[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 46496158
2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
CID 5146322
2-chloro-N-[2-[(2Z)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6153463
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 5229962
2-(2-chloro-N-methylsulfonylanilino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 92684892
N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
[4-[(Z)-[3-[(2-chlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenyl] 3,4-dimethoxybenzoate
CID 6129118

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide (CID 6893412) is 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide is CN(C)c1ccc(/C=N/NC(=O)CCNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is HBRPRQZHRJMWHU-LPYMAVHISA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-24(2)15-9-7-14(8-10-15)13-22-23-18(25)11-12-21-19(26)16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,26)(H,23,25)/b22-13+.
What are the key properties of 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 372.86 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 6893412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).