N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide

C20H22Cl2N2O4 — CID 55878941

IUPACN-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4/c1-27-16-7-4-14(5-8-16)20(26)24-11-10-23-19(25)3-2-12-28-18-9-6-15(21)13-17(18)22/h4-9,13H,2-3,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyBVUUPETWIIXNQN-UHFFFAOYSA-N
MW425.31 g/mol
LogP3.71
Rot. Bonds10

About N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide

N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide (PubChem CID 55878941) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
PubChem CID55878941
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC NameN-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4/c1-27-16-7-4-14(5-8-16)20(26)24-11-10-23-19(25)3-2-12-28-18-9-6-15(21)13-17(18)22/h4-9,13H,2-3,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyBVUUPETWIIXNQN-UHFFFAOYSA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
N-[2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]ethyl]-4-chlorobenzamide
CID 55761848
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
CID 60550353
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide (CID 55878941) is N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide?
The InChIKey is BVUUPETWIIXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-27-16-7-4-14(5-8-16)20(26)24-11-10-23-19(25)3-2-12-28-18-9-6-15(21)13-17(18)22/h4-9,13H,2-3,10-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide?
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide has a molecular weight of 425.31 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 55878941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).