N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide

C16H15ClN2O2 — CID 965991

IUPACN'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-3-2-4-13(9-11)16(21)19-18-15(20)10-12-5-7-14(17)8-6-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeySCACWOMJIYCTNH-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.65
Rot. Bonds3

About N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide

N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide (PubChem CID 965991) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
PubChem CID965991
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-3-2-4-13(9-11)16(21)19-18-15(20)10-12-5-7-14(17)8-6-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeySCACWOMJIYCTNH-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'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936804
3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
CID 1367057
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3349610
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314
N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3347368

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide (CID 965991) is N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide?
The InChIKey is SCACWOMJIYCTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-3-2-4-13(9-11)16(21)19-18-15(20)10-12-5-7-14(17)8-6-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-3-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]-3-methylbenzohydrazide is sourced from PubChem (CID 965991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).