N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

C22H25Cl2N3O5 — CID 46490770

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C22H25Cl2N3O5/c1-13(2)25-21(29)12-32-18-8-5-14(9-19(18)31-4)22(30)27(3)11-20(28)26-15-6-7-16(23)17(24)10-15/h5-10,13H,11-12H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyQGMBXAHKNBSTJT-UHFFFAOYSA-N
MW482.36 g/mol
LogP3.62
Rot. Bonds9

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 46490770) has the molecular formula C22H25Cl2N3O5 and a molecular weight of 482.36 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID46490770
Molecular FormulaC22H25Cl2N3O5
Molecular Weight482.36 g/mol
Exact Mass481.12
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C22H25Cl2N3O5/c1-13(2)25-21(29)12-32-18-8-5-14(9-19(18)31-4)22(30)27(3)11-20(28)26-15-6-7-16(23)17(24)10-15/h5-10,13H,11-12H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyQGMBXAHKNBSTJT-UHFFFAOYSA-N
XLogP3.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 129156953
5-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 31182564
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
CID 9418826
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 31619702
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 55413073
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78806129

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 46490770) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is COc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is QGMBXAHKNBSTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O5/c1-13(2)25-21(29)12-32-18-8-5-14(9-19(18)31-4)22(30)27(3)11-20(28)26-15-6-7-16(23)17(24)10-15/h5-10,13H,11-12H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 482.36 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 46490770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).