N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide

C20H21Cl2N3O4 — CID 4938660

IUPACN-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
SMILESCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H21Cl2N3O4/c1-2-11-29-15-6-3-13(4-7-15)20(28)25-24-19(27)10-9-18(26)23-17-8-5-14(21)12-16(17)22/h3-8,12H,2,9-11H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDFTCPCOTFWDFII-UHFFFAOYSA-N
MW438.31 g/mol
LogP3.96
Rot. Bonds8

About N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide

N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide (PubChem CID 4938660) has the molecular formula C20H21Cl2N3O4 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
PubChem CID4938660
Molecular FormulaC20H21Cl2N3O4
Molecular Weight438.31 g/mol
Exact Mass437.09
IUPAC NameN-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
SMILESCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H21Cl2N3O4/c1-2-11-29-15-6-3-13(4-7-15)20(28)25-24-19(27)10-9-18(26)23-17-8-5-14(21)12-16(17)22/h3-8,12H,2,9-11H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDFTCPCOTFWDFII-UHFFFAOYSA-N
XLogP3.96
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 53.96
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

4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
CID 4956746
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 17112771
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
methyl N-[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamate
CID 4928103
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide (CID 4938660) is N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide is CCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide?
The InChIKey is DFTCPCOTFWDFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4/c1-2-11-29-15-6-3-13(4-7-15)20(28)25-24-19(27)10-9-18(26)23-17-8-5-14(21)12-16(17)22/h3-8,12H,2,9-11H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide?
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide has a molecular weight of 438.31 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide is sourced from PubChem (CID 4938660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).