3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide

C18H19ClN2O3 — CID 53288807

IUPAC3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc(C(N)=O)c2C)ccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-10-9-13(7-8-15(10)19)24-12(3)18(23)21-16-6-4-5-14(11(16)2)17(20)22/h4-9,12H,1-3H3,(H2,20,22)(H,21,23)
InChIKeyQMRRRLFFSRPGKD-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.46
Rot. Bonds5

About 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide

3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide (PubChem CID 53288807) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide
PubChem CID53288807
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc(C(N)=O)c2C)ccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-10-9-13(7-8-15(10)19)24-12(3)18(23)21-16-6-4-5-14(11(16)2)17(20)22/h4-9,12H,1-3H3,(H2,20,22)(H,21,23)
InChIKeyQMRRRLFFSRPGKD-UHFFFAOYSA-N
XLogP3.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenoxy)propanoylamino]-2-methylbenzamide
CID 53282389
3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide
CID 34584016
3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
CID 53281948
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
CID 53288806
methyl 3-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 21367909
3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
CID 95706566
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7794737
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 94595467

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide?
The IUPAC name of 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide (CID 53288807) is 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide?
The canonical SMILES for 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide is Cc1cc(OC(C)C(=O)Nc2cccc(C(N)=O)c2C)ccc1Cl.
What is the InChIKey of 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide?
The InChIKey is QMRRRLFFSRPGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-10-9-13(7-8-15(10)19)24-12(3)18(23)21-16-6-4-5-14(11(16)2)17(20)22/h4-9,12H,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide?
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide is sourced from PubChem (CID 53288807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).