2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide

C17H18Cl2N2O2 — CID 18380270

IUPAC2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCC(C(=O)NC(CO)C1=CC=CC=C1)NC2=CC(=CC(=C2)Cl)Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11(20-15-8-13(18)7-14(19)9-15)17(23)21-16(10-22)12-5-3-2-4-6-12/h2-9,11,16,20,22H,10H2,1H3,(H,21,23)
InChIKeyNCRVHPIRRFEPTD-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.80
Rot. Bonds6

About 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide

2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide (PubChem CID 18380270) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.20 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide
PubChem CID18380270
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.20 g/mol
Exact Mass352.07
IUPAC Name2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCC(C(=O)NC(CO)C1=CC=CC=C1)NC2=CC(=CC(=C2)Cl)Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11(20-15-8-13(18)7-14(19)9-15)17(23)21-16(10-22)12-5-3-2-4-6-12/h2-9,11,16,20,22H,10H2,1H3,(H,21,23)
InChIKeyNCRVHPIRRFEPTD-UHFFFAOYSA-N
XLogP3.80
TPSA61.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity368

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide (CID 18380270) is 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide is CC(C(=O)NC(CO)C1=CC=CC=C1)NC2=CC(=CC(=C2)Cl)Cl.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide?
The InChIKey is NCRVHPIRRFEPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11(20-15-8-13(18)7-14(19)9-15)17(23)21-16(10-22)12-5-3-2-4-6-12/h2-9,11,16,20,22H,10H2,1H3,(H,21,23).
What are the key properties of 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide?
2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide has a molecular weight of 353.20 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide is sourced from PubChem (CID 18380270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).