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

C12H16ClN3O3 — CID 106174844

IUPAC3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCC(O)C(N)=O
InChIInChI=1S/C12H16ClN3O3/c1-7-2-3-8(13)4-9(7)16-11(18)6-15-5-10(17)12(14)19/h2-4,10,15,17H,5-6H2,1H3,(H2,14,19)(H,16,18)
InChIKeyZRHJLIQDSJRKNC-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.02
Rot. Bonds6

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

3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide (PubChem CID 106174844) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
PubChem CID106174844
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCC(O)C(N)=O
InChIInChI=1S/C12H16ClN3O3/c1-7-2-3-8(13)4-9(7)16-11(18)6-15-5-10(17)12(14)19/h2-4,10,15,17H,5-6H2,1H3,(H2,14,19)(H,16,18)
InChIKeyZRHJLIQDSJRKNC-UHFFFAOYSA-N
XLogP0.02
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide
CID 106115436
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
CID 103601419
3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106172166
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
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide (CID 106174844) is 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide is Cc1ccc(Cl)cc1NC(=O)CNCC(O)C(N)=O.
What is the InChIKey of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide?
The InChIKey is ZRHJLIQDSJRKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-7-2-3-8(13)4-9(7)16-11(18)6-15-5-10(17)12(14)19/h2-4,10,15,17H,5-6H2,1H3,(H2,14,19)(H,16,18).
What are the key properties of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide?
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide has a molecular weight of 285.73 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).