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

C18H20ClNO2 — CID 17179035

IUPAC3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-2-13-22-16-10-8-15(9-11-16)20-18(21)12-7-14-5-3-4-6-17(14)19/h3-6,8-11H,2,7,12-13H2,1H3,(H,20,21)
InChIKeyJXEHREIQILJKKS-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.70
Rot. Bonds7

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

3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide (PubChem CID 17179035) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
PubChem CID17179035
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-2-13-22-16-10-8-15(9-11-16)20-18(21)12-7-14-5-3-4-6-17(14)19/h3-6,8-11H,2,7,12-13H2,1H3,(H,20,21)
InChIKeyJXEHREIQILJKKS-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 17179033
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
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3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
2-(2-fluorophenyl)-N-(4-propoxyphenyl)acetamide
CID 110493409
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
N-[3-(2-chlorophenyl)propyl]-4-propoxyaniline
CID 54799488
[4-[[4-[3-(2-chlorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930688
3-(2-chlorophenyl)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]propanamide
CID 17179432
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CID 110622808

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide (CID 17179035) is 3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide is CCCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide?
The InChIKey is JXEHREIQILJKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-2-13-22-16-10-8-15(9-11-16)20-18(21)12-7-14-5-3-4-6-17(14)19/h3-6,8-11H,2,7,12-13H2,1H3,(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide?
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 17179035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).