4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide

C21H24ClN3O2 — CID 3394497

IUPAC4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide
SMILESCc1ccc(C=NNC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-14(2)12-19(24-20(26)17-8-10-18(22)11-9-17)21(27)25-23-13-16-6-4-15(3)5-7-16/h4-11,13-14,19H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBPTMJKZDKSTVRZ-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.94
Rot. Bonds7

About 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide

4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide (PubChem CID 3394497) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide
PubChem CID3394497
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide
SMILESCc1ccc(C=NNC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-14(2)12-19(24-20(26)17-8-10-18(22)11-9-17)21(27)25-23-13-16-6-4-15(3)5-7-16/h4-11,13-14,19H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBPTMJKZDKSTVRZ-UHFFFAOYSA-N
XLogP3.94
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.94
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

4-chloro-N-[4-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
CID 3526177
4-chloro-N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 3599501
4-chloro-N-[1-[2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 4261925
4-chloro-N-[1-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 4314856
4-chloro-N-[1-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 5109361
4-chloro-N-[1-(2-cinnamylidenehydrazinyl)-4-methyl-1-oxopentan-2-yl]benzamide
CID 4653495
ethyl 2-[2-bromo-4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4041554
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
4-chloro-N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 3962023
N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 3515433
N-[1-[2-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 4661949
methyl 4-[(Z)-[[(2R)-2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylpentanoyl]hydrazinylidene]methyl]benzoate
CID 126022447

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide (CID 3394497) is 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide is Cc1ccc(C=NNC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide?
The InChIKey is BPTMJKZDKSTVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-14(2)12-19(24-20(26)17-8-10-18(22)11-9-17)21(27)25-23-13-16-6-4-15(3)5-7-16/h4-11,13-14,19H,12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide?
4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide has a molecular weight of 385.90 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 3394497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).