N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide

C19H22ClN3O5 — CID 55364467

IUPACN-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C19H22ClN3O5/c1-23(12-17(24)22-14-11-13(20)7-8-15(14)27-2)18(25)6-3-9-21-19(26)16-5-4-10-28-16/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyMCAHKQGGVNMMEN-UHFFFAOYSA-N
MW407.85 g/mol
LogP2.55
Rot. Bonds9

About N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 55364467) has the molecular formula C19H22ClN3O5 and a molecular weight of 407.85 g/mol. Its IUPAC name is N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide
PubChem CID55364467
Molecular FormulaC19H22ClN3O5
Molecular Weight407.85 g/mol
Exact Mass407.12
IUPAC NameN-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C19H22ClN3O5/c1-23(12-17(24)22-14-11-13(20)7-8-15(14)27-2)18(25)6-3-9-21-19(26)16-5-4-10-28-16/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyMCAHKQGGVNMMEN-UHFFFAOYSA-N
XLogP2.55
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide with MolForge

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Related Compounds

5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide
CID 55754958
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9167118
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 60740288
5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 9438199
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]acetamide
CID 8501332
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 9014966
N-[[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 4576890
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788847

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide (CID 55364467) is N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is MCAHKQGGVNMMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5/c1-23(12-17(24)22-14-11-13(20)7-8-15(14)27-2)18(25)6-3-9-21-19(26)16-5-4-10-28-16/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 407.85 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 55364467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).