N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide

C18H20ClNO2 — CID 4953593

IUPACN-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12(2)14-8-10-15(11-9-14)22-13(3)18(21)20-17-7-5-4-6-16(17)19/h4-13H,1-3H3,(H,20,21)
InChIKeyKVBPZINPUZCJMZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.87
Rot. Bonds5

About N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide

N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 4953593) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID4953593
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12(2)14-8-10-15(11-9-14)22-13(3)18(21)20-17-7-5-4-6-16(17)19/h4-13H,1-3H3,(H,20,21)
InChIKeyKVBPZINPUZCJMZ-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
N-(2-chlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953273
N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51236628
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238690
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17354040
2-(3-aminophenoxy)-N-(2-chlorophenyl)propanamide
CID 82027601
N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
CID 4951768

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide (CID 4953593) is N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is KVBPZINPUZCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12(2)14-8-10-15(11-9-14)22-13(3)18(21)20-17-7-5-4-6-16(17)19/h4-13H,1-3H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 4953593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).