5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide

C16H18ClN3O — CID 62238383

IUPAC5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cc(Cl)ccc2NN)cc1
InChIInChI=1S/C16H18ClN3O/c1-10(2)11-3-6-13(7-4-11)19-16(21)14-9-12(17)5-8-15(14)20-18/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyTWAUNRBEUZWFSQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.00
Rot. Bonds4

About 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide

5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 62238383) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
PubChem CID62238383
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cc(Cl)ccc2NN)cc1
InChIInChI=1S/C16H18ClN3O/c1-10(2)11-3-6-13(7-4-11)19-16(21)14-9-12(17)5-8-15(14)20-18/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyTWAUNRBEUZWFSQ-UHFFFAOYSA-N
XLogP4.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.00
H-Bond Donors ≤ 53
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

2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62235993
5-chloro-N-(3-chlorophenyl)-2-hydrazinylbenzamide
CID 55052324
5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812110
5-chloro-2-hydrazinyl-N-(3-methylphenyl)benzamide
CID 62236027
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
5-chloro-N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzamide
CID 62242667
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide (CID 62238383) is 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2cc(Cl)ccc2NN)cc1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is TWAUNRBEUZWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(2)11-3-6-13(7-4-11)19-16(21)14-9-12(17)5-8-15(14)20-18/h3-10,20H,18H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide?
5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 303.79 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 62238383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).