3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide

C19H23ClN2O — CID 109037305

IUPAC3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O/c1-19(2,3)14-8-4-6-10-16(14)21-13-12-18(23)22-17-11-7-5-9-15(17)20/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyDBQXQVGABNPDFR-UHFFFAOYSA-N
MW330.86 g/mol
LogP5.08
Rot. Bonds5

About 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide

3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide (PubChem CID 109037305) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
PubChem CID109037305
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O/c1-19(2,3)14-8-4-6-10-16(14)21-13-12-18(23)22-17-11-7-5-9-15(17)20/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyDBQXQVGABNPDFR-UHFFFAOYSA-N
XLogP5.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037309
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
methyl 2-[[3-(2-tert-butylanilino)-3-oxopropyl]amino]benzoate
CID 109037275
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108954677
N-(2-tert-butylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 7920165

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide (CID 109037305) is 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide is CC(C)(C)c1ccccc1NCCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide?
The InChIKey is DBQXQVGABNPDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-19(2,3)14-8-4-6-10-16(14)21-13-12-18(23)22-17-11-7-5-9-15(17)20/h4-11,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide?
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide has a molecular weight of 330.86 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 109037305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).