(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide

C17H17ClN2O3 — CID 51492437

IUPAC(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide
SMILESCc1cc(OCC(=O)N[C@@H](C(N)=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-11-9-13(7-8-14(11)18)23-10-15(21)20-16(17(19)22)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H2,19,22)(H,20,21)/t16-/m1/s1
InChIKeyNESMWWFNOXEKLS-MRXNPFEDSA-N
MW332.79 g/mol
LogP2.37
Rot. Bonds6

About (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide

(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide (PubChem CID 51492437) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide
PubChem CID51492437
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide
SMILESCc1cc(OCC(=O)N[C@@H](C(N)=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-11-9-13(7-8-14(11)18)23-10-15(21)20-16(17(19)22)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H2,19,22)(H,20,21)/t16-/m1/s1
InChIKeyNESMWWFNOXEKLS-MRXNPFEDSA-N
XLogP2.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-phenylacetamide
CID 56811334
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
2-[[2-(3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 47017240
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519168
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519166
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43916161
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107823155
(2S,3R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964843

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide (CID 51492437) is (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide is Cc1cc(OCC(=O)N[C@@H](C(N)=O)c2ccccc2)ccc1Cl.
What is the InChIKey of (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide?
The InChIKey is NESMWWFNOXEKLS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-9-13(7-8-14(11)18)23-10-15(21)20-16(17(19)22)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H2,19,22)(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide?
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide has a molecular weight of 332.79 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 51492437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).