(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide

C20H22ClN3O3 — CID 7270871

IUPAC(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
SMILESCO[C@H](C(=O)N/N=C(/C)CC(=O)Nc1ccc(Cl)cc1C)c1ccccc1
InChIInChI=1S/C20H22ClN3O3/c1-13-11-16(21)9-10-17(13)22-18(25)12-14(2)23-24-20(26)19(27-3)15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,22,25)(H,24,26)/b23-14-/t19-/m0/s1
InChIKeyAYVMIVGWNFDEQM-CSMVZQPBSA-N
MW387.87 g/mol
LogP3.86
Rot. Bonds7

About (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide

(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide (PubChem CID 7270871) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
PubChem CID7270871
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
SMILESCO[C@H](C(=O)N/N=C(/C)CC(=O)Nc1ccc(Cl)cc1C)c1ccccc1
InChIInChI=1S/C20H22ClN3O3/c1-13-11-16(21)9-10-17(13)22-18(25)12-14(2)23-24-20(26)19(27-3)15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,22,25)(H,24,26)/b23-14-/t19-/m0/s1
InChIKeyAYVMIVGWNFDEQM-CSMVZQPBSA-N
XLogP3.86
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.86
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

(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2R)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 7270870
(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 40521153
N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6110651
N-[[4-(4-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 3497267
N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 4306976
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132012
N-(2-acetamido-5-methylphenyl)-2-methoxy-2-phenylacetamide
CID 75475764
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
(3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide
CID 7224772
2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 23790591

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide?
The IUPAC name of (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide (CID 7270871) is (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide.
What is the SMILES notation for (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide?
The canonical SMILES for (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide is CO[C@H](C(=O)N/N=C(/C)CC(=O)Nc1ccc(Cl)cc1C)c1ccccc1.
What is the InChIKey of (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide?
The InChIKey is AYVMIVGWNFDEQM-CSMVZQPBSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13-11-16(21)9-10-17(13)22-18(25)12-14(2)23-24-20(26)19(27-3)15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,22,25)(H,24,26)/b23-14-/t19-/m0/s1.
What are the key properties of (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide?
(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide has a molecular weight of 387.87 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 7270871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).