3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide

C19H22ClNO — CID 19221190

IUPAC3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO/c1-19(2,3)15-10-7-14(8-11-15)9-12-18(22)21-17-6-4-5-16(20)13-17/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,22)
InChIKeyPDBDOMAGOKGPJR-UHFFFAOYSA-N
MW315.84 g/mol
LogP5.21
Rot. Bonds4

About 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide

3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide (PubChem CID 19221190) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
PubChem CID19221190
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO/c1-19(2,3)15-10-7-14(8-11-15)9-12-18(22)21-17-6-4-5-16(20)13-17/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,22)
InChIKeyPDBDOMAGOKGPJR-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-tert-butylphenyl)propanoylamino]-3-(3-chlorophenyl)thiourea
CID 9376702
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 126213924
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide (CID 19221190) is 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide?
The InChIKey is PDBDOMAGOKGPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-19(2,3)15-10-7-14(8-11-15)9-12-18(22)21-17-6-4-5-16(20)13-17/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide?
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide has a molecular weight of 315.84 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 19221190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).