N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide

C16H18ClN3O — CID 62978074

IUPACN-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1ccc(NN)cc1
InChIInChI=1S/C16H18ClN3O/c1-11(14-5-3-4-6-15(14)17)20(2)16(21)12-7-9-13(19-18)10-8-12/h3-11,19H,18H2,1-2H3
InChIKeyLDPRKOWSOAHTIU-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.46
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide

N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide (PubChem CID 62978074) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
PubChem CID62978074
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1ccc(NN)cc1
InChIInChI=1S/C16H18ClN3O/c1-11(14-5-3-4-6-15(14)17)20(2)16(21)12-7-9-13(19-18)10-8-12/h3-11,19H,18H2,1-2H3
InChIKeyLDPRKOWSOAHTIU-UHFFFAOYSA-N
XLogP3.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
N-[(2-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzamide
CID 62242071
N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072124
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
CID 61105024
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
CID 55609242
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
CID 103867275
6-amino-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980332

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide (CID 62978074) is N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide is CC(c1ccccc1Cl)N(C)C(=O)c1ccc(NN)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide?
The InChIKey is LDPRKOWSOAHTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(14-5-3-4-6-15(14)17)20(2)16(21)12-7-9-13(19-18)10-8-12/h3-11,19H,18H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide?
N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide is sourced from PubChem (CID 62978074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).