2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide

C17H19ClN2O2 — CID 23301663

IUPAC2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide
SMILESCc1cc(O)cc(Cl)c1CC(N)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-11-8-13(21)9-15(18)14(11)10-16(19)17(22)20(2)12-6-4-3-5-7-12/h3-9,16,21H,10,19H2,1-2H3
InChIKeyBXVPZLQJROYZGD-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide

2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide (PubChem CID 23301663) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide
PubChem CID23301663
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide
SMILESCc1cc(O)cc(Cl)c1CC(N)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-11-8-13(21)9-15(18)14(11)10-16(19)17(22)20(2)12-6-4-3-5-7-12/h3-9,16,21H,10,19H2,1-2H3
InChIKeyBXVPZLQJROYZGD-UHFFFAOYSA-N
XLogP2.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 50925450
CID 50925450
CID 50994459
CID 50994459
CID 50994529
CID 50994529
CID 44391108
CID 44391108
CID 44425365
CID 44425365
CID 44425366
CID 44425366
CID 44425367
CID 44425367
CID 50994461
CID 50994461
CID 47671695
CID 47671695
CID 145980234
CID 145980234
CID 71860625
CID 71860625
CID 11610891
CID 11610891

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide?
The IUPAC name of 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide (CID 23301663) is 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide is Cc1cc(O)cc(Cl)c1CC(N)C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide?
The InChIKey is BXVPZLQJROYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-8-13(21)9-15(18)14(11)10-16(19)17(22)20(2)12-6-4-3-5-7-12/h3-9,16,21H,10,19H2,1-2H3.
What are the key properties of 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide?
2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide has a molecular weight of 318.80 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 23301663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).