2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C24H24ClN3O3 — CID 167490784

IUPAC2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1CCC(=O)NNC(=O)CCl)c1cccc2ccccc12
InChIInChI=1S/C24H24ClN3O3/c1-16(19-12-6-9-17-7-2-4-10-20(17)19)26-24(31)21-11-5-3-8-18(21)13-14-22(29)27-28-23(30)15-25/h2-12,16H,13-15H2,1H3,(H,26,31)(H,27,29)(H,28,30)/t16-/m1/s1
InChIKeyIRWSRKWBUUKRBC-MRXNPFEDSA-N
MW437.93 g/mol
LogP3.65
Rot. Bonds7

About 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 167490784) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID167490784
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1CCC(=O)NNC(=O)CCl)c1cccc2ccccc12
InChIInChI=1S/C24H24ClN3O3/c1-16(19-12-6-9-17-7-2-4-10-20(17)19)26-24(31)21-11-5-3-8-18(21)13-14-22(29)27-28-23(30)15-25/h2-12,16H,13-15H2,1H3,(H,26,31)(H,27,29)(H,28,30)/t16-/m1/s1
InChIKeyIRWSRKWBUUKRBC-MRXNPFEDSA-N
XLogP3.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 167490784) is 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1CCC(=O)NNC(=O)CCl)c1cccc2ccccc12.
What is the InChIKey of 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is IRWSRKWBUUKRBC-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-16(19-12-6-9-17-7-2-4-10-20(17)19)26-24(31)21-11-5-3-8-18(21)13-14-22(29)27-28-23(30)15-25/h2-12,16H,13-15H2,1H3,(H,26,31)(H,27,29)(H,28,30)/t16-/m1/s1.
What are the key properties of 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-chloroacetyl)hydrazinyl]-3-oxopropyl]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 167490784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).