3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide

C20H23ClN2O3 — CID 43912106

IUPAC3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCc1cc(OCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-14-11-17(8-9-18(14)21)26-13-19(24)22-16-6-4-5-15(12-16)7-10-20(25)23(2)3/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H,22,24)
InChIKeyWCRUAYCEUDUNRJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.69
Rot. Bonds7

About 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide

3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 43912106) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID43912106
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCc1cc(OCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-14-11-17(8-9-18(14)21)26-13-19(24)22-16-6-4-5-15(12-16)7-10-20(25)23(2)3/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H,22,24)
InChIKeyWCRUAYCEUDUNRJ-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 46760396
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 46761769
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273522
N,N-dimethyl-3-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54824486
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea
CID 4922809
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
3-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54819261
3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54832806
3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54810691

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 43912106) is 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide is Cc1cc(OCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)ccc1Cl.
What is the InChIKey of 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is WCRUAYCEUDUNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-11-17(8-9-18(14)21)26-13-19(24)22-16-6-4-5-15(12-16)7-10-20(25)23(2)3/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H,22,24).
What are the key properties of 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 374.87 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 43912106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).