N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide

C23H22ClN3O4 — CID 24670493

IUPACN-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C23H22ClN3O4/c1-2-27(14-13-21(28)26-16-9-7-15(8-10-16)22(25)29)23(30)20-12-11-19(31-20)17-5-3-4-6-18(17)24/h3-12H,2,13-14H2,1H3,(H2,25,29)(H,26,28)
InChIKeyQHXBEFWSNQYVRB-UHFFFAOYSA-N
MW439.90 g/mol
LogP4.19
Rot. Bonds8

About N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide

N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide (PubChem CID 24670493) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
PubChem CID24670493
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C23H22ClN3O4/c1-2-27(14-13-21(28)26-16-9-7-15(8-10-16)22(25)29)23(30)20-12-11-19(31-20)17-5-3-4-6-18(17)24/h3-12H,2,13-14H2,1H3,(H2,25,29)(H,26,28)
InChIKeyQHXBEFWSNQYVRB-UHFFFAOYSA-N
XLogP4.19
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
CID 31412018
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide
CID 24670472
N-[3-(4-carbamoylanilino)-3-oxopropyl]-1-(2-chlorophenyl)-N-ethyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 24670500
4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36638338
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
4-[3-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-ethylamino]propanoylamino]benzamide
CID 31412301
[[1-amino-3-(4-methylanilino)-3-oxopropylidene]amino] 5-(2-chlorophenyl)furan-2-carboxylate
CID 73398021
5-(2-chlorophenyl)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 70714934
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24670513
4-amino-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-3-nitrobenzamide
CID 46558439
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24670488

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide?
The IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide (CID 24670493) is N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide?
The canonical SMILES for N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide?
The InChIKey is QHXBEFWSNQYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c1-2-27(14-13-21(28)26-16-9-7-15(8-10-16)22(25)29)23(30)20-12-11-19(31-20)17-5-3-4-6-18(17)24/h3-12H,2,13-14H2,1H3,(H2,25,29)(H,26,28).
What are the key properties of N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide?
N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide has a molecular weight of 439.90 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 24670493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).