N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide

C17H17Cl2N3O4 — CID 38769575

IUPACN-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C17H17Cl2N3O4/c1-22(9-15(23)21-12-2-3-13(18)14(19)8-12)16(24)4-6-20-17(25)11-5-7-26-10-11/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,20,25)(H,21,23)
InChIKeyYAXHEGPJGMQPKC-UHFFFAOYSA-N
MW398.25 g/mol
LogP2.80
Rot. Bonds7

About N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide

N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 38769575) has the molecular formula C17H17Cl2N3O4 and a molecular weight of 398.25 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
PubChem CID38769575
Molecular FormulaC17H17Cl2N3O4
Molecular Weight398.25 g/mol
Exact Mass397.06
IUPAC NameN-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C17H17Cl2N3O4/c1-22(9-15(23)21-12-2-3-13(18)14(19)8-12)16(24)4-6-20-17(25)11-5-7-26-10-11/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,20,25)(H,21,23)
InChIKeyYAXHEGPJGMQPKC-UHFFFAOYSA-N
XLogP2.80
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
CID 38033861
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39758297
4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9494370
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]-2-ethoxybenzamide
CID 31183094
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 24515219
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55347351
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 17452813
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 29359193

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide (CID 38769575) is N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)c1ccoc1.
What is the InChIKey of N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is YAXHEGPJGMQPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4/c1-22(9-15(23)21-12-2-3-13(18)14(19)8-12)16(24)4-6-20-17(25)11-5-7-26-10-11/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,20,25)(H,21,23).
What are the key properties of N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 38769575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).