3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide

C17H17ClN2O3 — CID 34584016

IUPAC3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cccc1C(N)=O
InChIInChI=1S/C17H17ClN2O3/c1-10-14(16(19)21)4-3-5-15(10)20-17(22)11(2)23-13-8-6-12(18)7-9-13/h3-9,11H,1-2H3,(H2,19,21)(H,20,22)/t11-/m1/s1
InChIKeyUVCHULMJUYHJNK-LLVKDONJSA-N
MW332.79 g/mol
LogP3.15
Rot. Bonds5

About 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide

3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide (PubChem CID 34584016) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide
PubChem CID34584016
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cccc1C(N)=O
InChIInChI=1S/C17H17ClN2O3/c1-10-14(16(19)21)4-3-5-15(10)20-17(22)11(2)23-13-8-6-12(18)7-9-13/h3-9,11H,1-2H3,(H2,19,21)(H,20,22)/t11-/m1/s1
InChIKeyUVCHULMJUYHJNK-LLVKDONJSA-N
XLogP3.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenoxy)propanoylamino]-2-methylbenzamide
CID 53282389
3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
CID 53281948
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide
CID 53288807
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
CID 95706566
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
methyl 3-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 21367909
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide (CID 34584016) is 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide is Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cccc1C(N)=O.
What is the InChIKey of 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide?
The InChIKey is UVCHULMJUYHJNK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-10-14(16(19)21)4-3-5-15(10)20-17(22)11(2)23-13-8-6-12(18)7-9-13/h3-9,11H,1-2H3,(H2,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide?
3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide has a molecular weight of 332.79 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 34584016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).