2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide

C13H18ClN3O2 — CID 62835283

IUPAC2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
SMILESCCNCCC(=O)Nc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-16-7-6-12(18)17-9-4-5-11(14)10(8-9)13(19)15-2/h4-5,8,16H,3,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWHQLXVXPMAOKON-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.64
Rot. Bonds6

About 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide

2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide (PubChem CID 62835283) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
PubChem CID62835283
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
SMILESCCNCCC(=O)Nc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-16-7-6-12(18)17-9-4-5-11(14)10(8-9)13(19)15-2/h4-5,8,16H,3,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWHQLXVXPMAOKON-UHFFFAOYSA-N
XLogP1.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.64
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-(5-hydroxypentanoylamino)-N-methylbenzamide
CID 79198792
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
2-chloro-4-[3-(ethylamino)propanoylamino]benzamide
CID 62834524
2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
CID 60928255
2-chloro-5-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55991884
2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide
CID 125431915
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55835897
5-[4-chloro-3-(methylcarbamoyl)anilino]-3-methyl-5-oxopentanoic acid
CID 62965912
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide (CID 62835283) is 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide is CCNCCC(=O)Nc1ccc(Cl)c(C(=O)NC)c1.
What is the InChIKey of 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide?
The InChIKey is WHQLXVXPMAOKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-16-7-6-12(18)17-9-4-5-11(14)10(8-9)13(19)15-2/h4-5,8,16H,3,6-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide?
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 62835283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).