N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

C21H24ClN3O4 — CID 24636072

IUPACN-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H24ClN3O4/c1-4-13(2)18(23-19(26)14-8-6-5-7-9-14)21(28)25-24-20(27)16-12-15(22)10-11-17(16)29-3/h5-13,18H,4H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyHEXWITVAXAORJD-UHFFFAOYSA-N
MW417.89 g/mol
LogP2.95
Rot. Bonds7

About N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 24636072) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID24636072
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC NameN-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H24ClN3O4/c1-4-13(2)18(23-19(26)14-8-6-5-7-9-14)21(28)25-24-20(27)16-12-15(22)10-11-17(16)29-3/h5-13,18H,4H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyHEXWITVAXAORJD-UHFFFAOYSA-N
XLogP2.95
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55347458
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
N-[(2S)-1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9278474
4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 35148834
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
CID 24539912

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (CID 24636072) is N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is HEXWITVAXAORJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-4-13(2)18(23-19(26)14-8-6-5-7-9-14)21(28)25-24-20(27)16-12-15(22)10-11-17(16)29-3/h5-13,18H,4H2,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 417.89 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 24636072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).