N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide

C16H15ClN2O2 — CID 4936719

IUPACN'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-6-13(7-3-11)16(21)19-18-15(20)10-12-4-8-14(17)9-5-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLKYYZVWAZMSKNU-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.65
Rot. Bonds3

About N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide

N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide (PubChem CID 4936719) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
PubChem CID4936719
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-6-13(7-3-11)16(21)19-18-15(20)10-12-4-8-14(17)9-5-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLKYYZVWAZMSKNU-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
N'-[2-(4-chlorophenyl)acetyl]-6-methylpyridine-3-carbohydrazide
CID 31117850
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936804
N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
CID 31727117
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 26657294
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
N'-[2-(4-chlorophenyl)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 41483858
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
N'-(2-bromoacetyl)-4-methylbenzohydrazide
CID 54560868

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide (CID 4936719) is N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide?
The InChIKey is LKYYZVWAZMSKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-2-6-13(7-3-11)16(21)19-18-15(20)10-12-4-8-14(17)9-5-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide has a molecular weight of 302.76 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide is sourced from PubChem (CID 4936719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).