3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide

C14H20ClN3O2 — CID 115745425

IUPAC3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H20ClN3O2/c1-3-17-13(19)6-7-16-9-14(20)18-12-8-11(15)5-4-10(12)2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRNKHYLAGCKCAGX-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.70
Rot. Bonds7

About 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide

3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide (PubChem CID 115745425) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
PubChem CID115745425
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H20ClN3O2/c1-3-17-13(19)6-7-16-9-14(20)18-12-8-11(15)5-4-10(12)2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRNKHYLAGCKCAGX-UHFFFAOYSA-N
XLogP1.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.70
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

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CID 1340673
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
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N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
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CID 43405018
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
CID 106211851
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015588
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
The IUPAC name of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide (CID 115745425) is 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
The canonical SMILES for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide is CCNC(=O)CCNCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
The InChIKey is RNKHYLAGCKCAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-17-13(19)6-7-16-9-14(20)18-12-8-11(15)5-4-10(12)2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide has a molecular weight of 297.79 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 115745425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).