N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide

C13H16ClN3O4 — CID 2124746

IUPACN-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(C)=O
InChIInChI=1S/C13H16ClN3O4/c1-8(18)15-6-5-12(19)16-17-13(20)10-7-9(14)3-4-11(10)21-2/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyIOVTVKUVBLNHSK-UHFFFAOYSA-N
MW313.74 g/mol
LogP0.64
Rot. Bonds5

About N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide

N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide (PubChem CID 2124746) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide
PubChem CID2124746
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC NameN-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(C)=O
InChIInChI=1S/C13H16ClN3O4/c1-8(18)15-6-5-12(19)16-17-13(20)10-7-9(14)3-4-11(10)21-2/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyIOVTVKUVBLNHSK-UHFFFAOYSA-N
XLogP0.64
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 50.64
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

5-chloro-2-methoxy-N-(2-methylpropyl)benzamide
CID 874434
HB 093
CID 43709
5-chloro-2-methoxy-N-(2-phenylethyl)benzamide
CID 118575
5-Chloro-2-methoxy-N-(2-(4-morpholinyl)ethyl)benzamide
CID 744011
2-[(5-chloro-2-methoxyphenyl)carbonyl]-N-cyclohexylhydrazinecarbothioamide
CID 939669
2-[(5-chloro-2-methoxyphenyl)carbonyl]-N-(prop-2-en-1-yl)hydrazinecarbothioamide
CID 1930072
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4795157
5-chloro-2-methoxy-N-[3-(morpholin-4-yl)propyl]benzamide
CID 5210947
5-chloro-N-ethyl-2-methoxybenzamide
CID 882731
Benzamide, 5-chloro-2-(2-(diethylamino)ethoxy)-
CID 21166
2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methoxyethyl)-2-oxoacetamide
CID 1926617
5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide
CID 2197671

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide (CID 2124746) is N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide is COc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(C)=O.
What is the InChIKey of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide?
The InChIKey is IOVTVKUVBLNHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O4/c1-8(18)15-6-5-12(19)16-17-13(20)10-7-9(14)3-4-11(10)21-2/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide?
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide has a molecular weight of 313.74 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide is sourced from PubChem (CID 2124746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).