2-chloro-4-[3-(ethylamino)propanoylamino]benzamide

C12H16ClN3O2 — CID 62834524

IUPAC2-chloro-4-[3-(ethylamino)propanoylamino]benzamide
SMILESCCNCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c1-2-15-6-5-11(17)16-8-3-4-9(12(14)18)10(13)7-8/h3-4,7,15H,2,5-6H2,1H3,(H2,14,18)(H,16,17)
InChIKeyJPILKKVCWGNKHY-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.38
Rot. Bonds6

About 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide

2-chloro-4-[3-(ethylamino)propanoylamino]benzamide (PubChem CID 62834524) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[3-(ethylamino)propanoylamino]benzamide
PubChem CID62834524
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-4-[3-(ethylamino)propanoylamino]benzamide
SMILESCCNCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c1-2-15-6-5-11(17)16-8-3-4-9(12(14)18)10(13)7-8/h3-4,7,15H,2,5-6H2,1H3,(H2,14,18)(H,16,17)
InChIKeyJPILKKVCWGNKHY-UHFFFAOYSA-N
XLogP1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[3-(ethylamino)propanoylamino]benzoic acid
CID 62834522
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
CID 82010894
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
4-(4-carbamothioyl-3-chloroanilino)-4-oxobutanoic acid
CID 54198447
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938
2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
CID 61030452
2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide
CID 55641818
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide?
The IUPAC name of 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide (CID 62834524) is 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide is CCNCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide?
The InChIKey is JPILKKVCWGNKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-15-6-5-11(17)16-8-3-4-9(12(14)18)10(13)7-8/h3-4,7,15H,2,5-6H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide?
2-chloro-4-[3-(ethylamino)propanoylamino]benzamide has a molecular weight of 269.73 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(ethylamino)propanoylamino]benzamide is sourced from PubChem (CID 62834524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).