3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide

C18H20ClNO3 — CID 45051382

IUPAC3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2cccc(OC)c2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-3-23-15-10-8-14(9-11-15)20-17(21)12-7-13-5-4-6-16(22-2)18(13)19/h4-6,8-11H,3,7,12H2,1-2H3,(H,20,21)
InChIKeyXHIZYZVOJFOSRS-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.32
Rot. Bonds7

About 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide

3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide (PubChem CID 45051382) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
PubChem CID45051382
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2cccc(OC)c2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-3-23-15-10-8-14(9-11-15)20-17(21)12-7-13-5-4-6-16(22-2)18(13)19/h4-6,8-11H,3,7,12H2,1-2H3,(H,20,21)
InChIKeyXHIZYZVOJFOSRS-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
CID 17179035
N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 17179033
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039909
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide (CID 45051382) is 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCc2cccc(OC)c2Cl)cc1.
What is the InChIKey of 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is XHIZYZVOJFOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-3-23-15-10-8-14(9-11-15)20-17(21)12-7-13-5-4-6-16(22-2)18(13)19/h4-6,8-11H,3,7,12H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide?
3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 45051382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).