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

C17H18Cl2N2O2 — CID 18380270

IUPAC2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCC(Nc1cc(Cl)cc(Cl)c1)C(=O)NC(CO)c1ccccc1
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
MW353.25 g/mol
LogP3.64
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 353.25 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 Weight353.25 g/mol
Exact Mass352.07
IUPAC Name2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCC(Nc1cc(Cl)cc(Cl)c1)C(=O)NC(CO)c1ccccc1
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
XLogP3.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 63182177
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311
(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine
CID 172781783
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
N-[1-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110004631

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(Nc1cc(Cl)cc(Cl)c1)C(=O)NC(CO)c1ccccc1.
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 353.25 g/mol, XLogP of 3.64, 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).