3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide

C20H23ClN2O2 — CID 113125911

IUPAC3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)16-7-9-19(10-8-16)23(15(3)24)12-11-20(25)22-18-6-4-5-17(21)13-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeyQDQDKQNGLBPFSW-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.85
Rot. Bonds6

About 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide

3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide (PubChem CID 113125911) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
PubChem CID113125911
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)16-7-9-19(10-8-16)23(15(3)24)12-11-20(25)22-18-6-4-5-17(21)13-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeyQDQDKQNGLBPFSW-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113125917
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
CID 113132588
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide
CID 113135426
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
3-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide (CID 113125911) is 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide?
The InChIKey is QDQDKQNGLBPFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(2)16-7-9-19(10-8-16)23(15(3)24)12-11-20(25)22-18-6-4-5-17(21)13-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide?
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 113125911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).