4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide

C22H21ClN2O4 — CID 34596366

IUPAC4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide
SMILESCOc1ccc2cc([C@H](C)C(=O)NNC(=O)c3ccc(Cl)cc3OC)ccc2c1
InChIInChI=1S/C22H21ClN2O4/c1-13(14-4-5-16-11-18(28-2)8-6-15(16)10-14)21(26)24-25-22(27)19-9-7-17(23)12-20(19)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27)/t13-/m0/s1
InChIKeyIHSXJXRDJWGTPI-ZDUSSCGKSA-N
MW412.87 g/mol
LogP4.08
Rot. Bonds5

About 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide

4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide (PubChem CID 34596366) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide
PubChem CID34596366
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide
SMILESCOc1ccc2cc([C@H](C)C(=O)NNC(=O)c3ccc(Cl)cc3OC)ccc2c1
InChIInChI=1S/C22H21ClN2O4/c1-13(14-4-5-16-11-18(28-2)8-6-15(16)10-14)21(26)24-25-22(27)19-9-7-17(23)12-20(19)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27)/t13-/m0/s1
InChIKeyIHSXJXRDJWGTPI-ZDUSSCGKSA-N
XLogP4.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 46656893
4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide
CID 55821337
4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55821592
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
(2S)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 175678405
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
3,6-dichloro-N'-(4-chloro-2-methoxybenzoyl)pyridine-2-carbohydrazide
CID 35855860
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 9379131
N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide
CID 55792231

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide (CID 34596366) is 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide is COc1ccc2cc([C@H](C)C(=O)NNC(=O)c3ccc(Cl)cc3OC)ccc2c1.
What is the InChIKey of 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide?
The InChIKey is IHSXJXRDJWGTPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-13(14-4-5-16-11-18(28-2)8-6-15(16)10-14)21(26)24-25-22(27)19-9-7-17(23)12-20(19)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27)/t13-/m0/s1.
What are the key properties of 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide?
4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide has a molecular weight of 412.87 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 34596366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).