2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide

C18H20ClNO3 — CID 17340245

IUPAC2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-12(2)22-15-10-8-14(9-11-15)20-18(21)13(3)23-17-7-5-4-6-16(17)19/h4-13H,1-3H3,(H,20,21)
InChIKeyXSSSZYNYZZUMEO-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.53
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide

2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 17340245) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID17340245
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-12(2)22-15-10-8-14(9-11-15)20-18(21)13(3)23-17-7-5-4-6-16(17)19/h4-13H,1-3H3,(H,20,21)
InChIKeyXSSSZYNYZZUMEO-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
2-(2-methoxyphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 15943089
2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43907362
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide
CID 43887670
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 28635676
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide (CID 17340245) is 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is XSSSZYNYZZUMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(2)22-15-10-8-14(9-11-15)20-18(21)13(3)23-17-7-5-4-6-16(17)19/h4-13H,1-3H3,(H,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide?
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 17340245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).