(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide

C22H21ClN2O3 — CID 46656893

IUPAC(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
SMILESCOc1ccc2cc([C@H](C)C(=O)NNC(=O)Cc3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C22H21ClN2O3/c1-14(16-5-6-18-13-20(28-2)10-7-17(18)12-16)22(27)25-24-21(26)11-15-3-8-19(23)9-4-15/h3-10,12-14H,11H2,1-2H3,(H,24,26)(H,25,27)/t14-/m0/s1
InChIKeyZZTBQQQNWOHQMF-AWEZNQCLSA-N
MW396.87 g/mol
LogP4.00
Rot. Bonds5

About (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide

(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide (PubChem CID 46656893) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
PubChem CID46656893
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
SMILESCOc1ccc2cc([C@H](C)C(=O)NNC(=O)Cc3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C22H21ClN2O3/c1-14(16-5-6-18-13-20(28-2)10-7-17(18)12-16)22(27)25-24-21(26)11-15-3-8-19(23)9-4-15/h3-10,12-14H,11H2,1-2H3,(H,24,26)(H,25,27)/t14-/m0/s1
InChIKeyZZTBQQQNWOHQMF-AWEZNQCLSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide
CID 34596366
(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 9379131
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 47066845
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
N'-[2-(4-chlorophenyl)acetyl]-2-[(3-methoxyphenyl)methoxy]propanehydrazide
CID 46452966
(2S)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 175678405
[4-[2-[2-(6-methoxynaphthalen-2-yl)propanoyl]hydrazinyl]-4-oxobutyl] nitrate
CID 73081355
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9367532
N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4938312

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide?
The IUPAC name of (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide (CID 46656893) is (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide is COc1ccc2cc([C@H](C)C(=O)NNC(=O)Cc3ccc(Cl)cc3)ccc2c1.
What is the InChIKey of (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide?
The InChIKey is ZZTBQQQNWOHQMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-14(16-5-6-18-13-20(28-2)10-7-17(18)12-16)22(27)25-24-21(26)11-15-3-8-19(23)9-4-15/h3-10,12-14H,11H2,1-2H3,(H,24,26)(H,25,27)/t14-/m0/s1.
What are the key properties of (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide?
(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide has a molecular weight of 396.87 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide is sourced from PubChem (CID 46656893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).