N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide

C18H20ClNO2 — CID 53266042

IUPACN-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-5-14-8-10-17(11-9-14)22-13(2)18(21)20-16-7-4-6-15(19)12-16/h4,6-13H,3,5H2,1-2H3,(H,20,21)
InChIKeyJJTMNKANIFIVHZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.70
Rot. Bonds6

About N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide

N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide (PubChem CID 53266042) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
PubChem CID53266042
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-5-14-8-10-17(11-9-14)22-13(2)18(21)20-16-7-4-6-15(19)12-16/h4,6-13H,3,5H2,1-2H3,(H,20,21)
InChIKeyJJTMNKANIFIVHZ-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438
(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7916093
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
methyl 4-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965118
(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893717
methyl 4-[1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78583530
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
N-(5-chloro-2-methoxyphenyl)-2-(4-propylphenoxy)propanamide
CID 53265987

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide (CID 53266042) is N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide is CCCc1ccc(OC(C)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide?
The InChIKey is JJTMNKANIFIVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-5-14-8-10-17(11-9-14)22-13(2)18(21)20-16-7-4-6-15(19)12-16/h4,6-13H,3,5H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide?
N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide is sourced from PubChem (CID 53266042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).