3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide

C12H17ClN2O2 — CID 82071511

IUPAC3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCN(CCO)C(=O)CCc1ccc(Cl)c(N)c1
InChIInChI=1S/C12H17ClN2O2/c1-15(6-7-16)12(17)5-3-9-2-4-10(13)11(14)8-9/h2,4,8,16H,3,5-7,14H2,1H3
InChIKeyQECYUSRRRFGRMJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.31
Rot. Bonds5

About 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide

3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide (PubChem CID 82071511) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
PubChem CID82071511
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCN(CCO)C(=O)CCc1ccc(Cl)c(N)c1
InChIInChI=1S/C12H17ClN2O2/c1-15(6-7-16)12(17)5-3-9-2-4-10(13)11(14)8-9/h2,4,8,16H,3,5-7,14H2,1H3
InChIKeyQECYUSRRRFGRMJ-UHFFFAOYSA-N
XLogP1.31
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 82071517
3-(3-amino-4-chlorophenyl)propanamide
CID 83796770
3-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886057
3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60740275
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]propanoate
CID 61031323
3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070952
3-(3,4-dichlorophenyl)-N-methoxy-N-methylpropanamide
CID 86728179
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
4-(3,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 78897631

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The IUPAC name of 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide (CID 82071511) is 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide is CN(CCO)C(=O)CCc1ccc(Cl)c(N)c1.
What is the InChIKey of 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The InChIKey is QECYUSRRRFGRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15(6-7-16)12(17)5-3-9-2-4-10(13)11(14)8-9/h2,4,8,16H,3,5-7,14H2,1H3.
What are the key properties of 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide has a molecular weight of 256.73 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide is sourced from PubChem (CID 82071511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).