N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide

C19H19Cl2N3O3 — CID 31412018

IUPACN-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2N3O3/c1-2-24(19(27)15-11-13(20)5-8-16(15)21)10-9-17(25)23-14-6-3-12(4-7-14)18(22)26/h3-8,11H,2,9-10H2,1H3,(H2,22,26)(H,23,25)
InChIKeyPWXBLGRJHSKGSG-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.58
Rot. Bonds7

About N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide

N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide (PubChem CID 31412018) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
PubChem CID31412018
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2N3O3/c1-2-24(19(27)15-11-13(20)5-8-16(15)21)10-9-17(25)23-14-6-3-12(4-7-14)18(22)26/h3-8,11H,2,9-10H2,1H3,(H2,22,26)(H,23,25)
InChIKeyPWXBLGRJHSKGSG-UHFFFAOYSA-N
XLogP3.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 24670493
4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide
CID 24670472
4-amino-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-3-nitrobenzamide
CID 46558439
N-[3-(4-carbamoylanilino)-3-oxopropyl]-1-(2-chlorophenyl)-N-ethyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 24670500
4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
CID 2541352
4-[3-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-ethylamino]propanoylamino]benzamide
CID 31412301
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24670488
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
CID 1370195
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24670513
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
CID 54988318
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide?
The IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide (CID 31412018) is N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide.
What is the SMILES notation for N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide?
The canonical SMILES for N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide?
The InChIKey is PWXBLGRJHSKGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-2-24(19(27)15-11-13(20)5-8-16(15)21)10-9-17(25)23-14-6-3-12(4-7-14)18(22)26/h3-8,11H,2,9-10H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide?
N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide has a molecular weight of 408.29 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide is sourced from PubChem (CID 31412018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).