5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide

C17H18ClN3O2 — CID 47077810

IUPAC5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCN(C(=O)CNc1ccc(Cl)cc1C(N)=O)c1ccccc1
InChIInChI=1S/C17H18ClN3O2/c1-2-21(13-6-4-3-5-7-13)16(22)11-20-15-9-8-12(18)10-14(15)17(19)23/h3-10,20H,2,11H2,1H3,(H2,19,23)
InChIKeyHVGLDBQQRIAFSP-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.90
Rot. Bonds6

About 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide

5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 47077810) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
PubChem CID47077810
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCN(C(=O)CNc1ccc(Cl)cc1C(N)=O)c1ccccc1
InChIInChI=1S/C17H18ClN3O2/c1-2-21(13-6-4-3-5-7-13)16(22)11-20-15-9-8-12(18)10-14(15)17(19)23/h3-10,20H,2,11H2,1H3,(H2,19,23)
InChIKeyHVGLDBQQRIAFSP-UHFFFAOYSA-N
XLogP2.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide
CID 60536225
5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
CID 71978167
2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 109011119
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 109007773
5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 47409666
3-(2-carbamoyl-4-chloroanilino)propanoic acid
CID 62492779
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide
CID 109002844
2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide
CID 34067816
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide (CID 47077810) is 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide is CCN(C(=O)CNc1ccc(Cl)cc1C(N)=O)c1ccccc1.
What is the InChIKey of 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is HVGLDBQQRIAFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-2-21(13-6-4-3-5-7-13)16(22)11-20-15-9-8-12(18)10-14(15)17(19)23/h3-10,20H,2,11H2,1H3,(H2,19,23).
What are the key properties of 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 331.80 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 47077810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).