N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide

C19H21ClN2O3 — CID 17187935

IUPACN-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-12(2)18(23)21-15-6-8-16(9-7-15)22-19(24)13(3)25-17-10-4-14(20)5-11-17/h4-13H,1-3H3,(H,21,23)(H,22,24)
InChIKeyKAEDEUSJVBAYNZ-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.34
Rot. Bonds6

About N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide

N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide (PubChem CID 17187935) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
PubChem CID17187935
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-12(2)18(23)21-15-6-8-16(9-7-15)22-19(24)13(3)25-17-10-4-14(20)5-11-17/h4-13H,1-3H3,(H,21,23)(H,22,24)
InChIKeyKAEDEUSJVBAYNZ-UHFFFAOYSA-N
XLogP4.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
2-(4-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 51193889
(2S)-N-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467191
(2R)-N-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467192
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide (CID 17187935) is N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide?
The InChIKey is KAEDEUSJVBAYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12(2)18(23)21-15-6-8-16(9-7-15)22-19(24)13(3)25-17-10-4-14(20)5-11-17/h4-13H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide?
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide has a molecular weight of 360.84 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 17187935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).