2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide

C13H18ClN3O2 — CID 60696183

IUPAC2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c1-3-15-13(19)9(2)16-8-12(18)17-11-6-4-10(14)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAUZXDUPINLYEPR-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.39
Rot. Bonds6

About 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide

2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide (PubChem CID 60696183) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide
PubChem CID60696183
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c1-3-15-13(19)9(2)16-8-12(18)17-11-6-4-10(14)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAUZXDUPINLYEPR-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696138
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631680
[(2S)-4-(4-chloroanilino)-4-oxobutan-2-yl]-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 9453401
N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 8603313
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
CID 61469757
(2S)-2-amino-N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119747283
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide (CID 60696183) is 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
The InChIKey is AUZXDUPINLYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-15-13(19)9(2)16-8-12(18)17-11-6-4-10(14)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide?
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide has a molecular weight of 283.76 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 60696183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).