3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide

C22H21ClN2O2 — CID 109038069

IUPAC3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNc1cccc(Cl)c1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O2/c23-18-7-4-8-20(15-18)24-14-13-22(26)25-19-9-11-21(12-10-19)27-16-17-5-2-1-3-6-17/h1-12,15,24H,13-14,16H2,(H,25,26)
InChIKeyILKNVHLAYZVEPA-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.36
Rot. Bonds8

About 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide

3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 109038069) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID109038069
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNc1cccc(Cl)c1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O2/c23-18-7-4-8-20(15-18)24-14-13-22(26)25-19-9-11-21(12-10-19)27-16-17-5-2-1-3-6-17/h1-12,15,24H,13-14,16H2,(H,25,26)
InChIKeyILKNVHLAYZVEPA-UHFFFAOYSA-N
XLogP5.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
CID 109038068
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384
4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide
CID 2400388
N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042005
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide (CID 109038069) is 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide is O=C(CCNc1cccc(Cl)c1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is ILKNVHLAYZVEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-18-7-4-8-20(15-18)24-14-13-22(26)25-19-9-11-21(12-10-19)27-16-17-5-2-1-3-6-17/h1-12,15,24H,13-14,16H2,(H,25,26).
What are the key properties of 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide?
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 380.88 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 109038069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).