4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide

C19H21ClN4O2 — CID 6076795

IUPAC4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N/NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21ClN4O2/c1-13(14-6-10-17(11-7-14)24(2)3)22-23-18(25)12-21-19(26)15-4-8-16(20)9-5-15/h4-11H,12H2,1-3H3,(H,21,26)(H,23,25)/b22-13-
InChIKeyNVNWAXPWQQEJLB-XKZIYDEJSA-N
MW372.86 g/mol
LogP2.68
Rot. Bonds6

About 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide

4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6076795) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID6076795
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N/NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21ClN4O2/c1-13(14-6-10-17(11-7-14)24(2)3)22-23-18(25)12-21-19(26)15-4-8-16(20)9-5-15/h4-11H,12H2,1-3H3,(H,21,26)(H,23,25)/b22-13-
InChIKeyNVNWAXPWQQEJLB-XKZIYDEJSA-N
XLogP2.68
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 6063456
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378
4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6297900
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide
CID 16761074
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 6076795) is 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide is C/C(=N/NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is NVNWAXPWQQEJLB-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-13(14-6-10-17(11-7-14)24(2)3)22-23-18(25)12-21-19(26)15-4-8-16(20)9-5-15/h4-11H,12H2,1-3H3,(H,21,26)(H,23,25)/b22-13-.
What are the key properties of 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 372.86 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6076795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).