(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide

C18H19ClN2O3 — CID 95158067

IUPAC(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c19-14-8-4-5-9-16(14)24-11-10-17(22)21-15(18(20)23)12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H2,20,23)(H,21,22)/t15-/m1/s1
InChIKeyXVFLQCQKMAFBDN-OAHLLOKOSA-N
MW346.81 g/mol
LogP2.32
Rot. Bonds8

About (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide

(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide (PubChem CID 95158067) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide
PubChem CID95158067
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c19-14-8-4-5-9-16(14)24-11-10-17(22)21-15(18(20)23)12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H2,20,23)(H,21,22)/t15-/m1/s1
InChIKeyXVFLQCQKMAFBDN-OAHLLOKOSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetyloxyphenyl)-2-[3-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 108802284
2-[3-(2-chlorophenoxy)propanoylamino]butanoic acid
CID 43469356
(2S)-2-[3-(2-chlorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822558
methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
2-[3-(2-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43353996
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 123313269
2-[4-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119223409
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide
CID 5001654
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
CID 11002177
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpent-4-enamide
CID 145273756
(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide
CID 95288076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide (CID 95158067) is (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide is NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCOc1ccccc1Cl.
What is the InChIKey of (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide?
The InChIKey is XVFLQCQKMAFBDN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-14-8-4-5-9-16(14)24-11-10-17(22)21-15(18(20)23)12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H2,20,23)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide?
(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide has a molecular weight of 346.81 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide is sourced from PubChem (CID 95158067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).