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

C21H19ClN2O2 — CID 109038068

IUPAC3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCNc1cccc(Cl)c1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-16-5-4-6-18(15-16)23-14-13-21(25)24-17-9-11-20(12-10-17)26-19-7-2-1-3-8-19/h1-12,15,23H,13-14H2,(H,24,25)
InChIKeyJETKWJNFCQLOHA-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.57
Rot. Bonds7

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

3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide (PubChem CID 109038068) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
PubChem CID109038068
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCNc1cccc(Cl)c1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-16-5-4-6-18(15-16)23-14-13-21(25)24-17-9-11-20(12-10-17)26-19-7-2-1-3-8-19/h1-12,15,23H,13-14H2,(H,24,25)
InChIKeyJETKWJNFCQLOHA-UHFFFAOYSA-N
XLogP5.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109038069
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide
CID 109038759
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
methyl 3-[3-(4-phenoxyanilino)propanoylamino]benzoate
CID 109041391
[2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
CID 17259148
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide (CID 109038068) is 3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide is O=C(CCNc1cccc(Cl)c1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is JETKWJNFCQLOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-16-5-4-6-18(15-16)23-14-13-21(25)24-17-9-11-20(12-10-17)26-19-7-2-1-3-8-19/h1-12,15,23H,13-14H2,(H,24,25).
What are the key properties of 3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide?
3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 366.85 g/mol, XLogP of 5.57, 7 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-phenoxyphenyl)propanamide is sourced from PubChem (CID 109038068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).