N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide

C12H17ClN2O2 — CID 82358486

IUPACN-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
SMILESCc1ccc(NC(=O)C(C)NCCO)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8-3-4-10(7-11(8)13)15-12(17)9(2)14-5-6-16/h3-4,7,9,14,16H,5-6H2,1-2H3,(H,15,17)
InChIKeySALVGBCITINYGZ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.56
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide

N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide (PubChem CID 82358486) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
PubChem CID82358486
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
SMILESCc1ccc(NC(=O)C(C)NCCO)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8-3-4-10(7-11(8)13)15-12(17)9(2)14-5-6-16/h3-4,7,9,14,16H,5-6H2,1-2H3,(H,15,17)
InChIKeySALVGBCITINYGZ-UHFFFAOYSA-N
XLogP1.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
N-(2,5-dichlorophenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358493
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
CID 111798745
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
CID 7509535
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide (CID 82358486) is N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide is Cc1ccc(NC(=O)C(C)NCCO)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide?
The InChIKey is SALVGBCITINYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-3-4-10(7-11(8)13)15-12(17)9(2)14-5-6-16/h3-4,7,9,14,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide?
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide has a molecular weight of 256.73 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide is sourced from PubChem (CID 82358486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).