3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide

C21H23F3N2O2 — CID 113125934

IUPAC3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H23F3N2O2/c1-14(2)16-4-10-19(11-5-16)26(15(3)27)13-12-20(28)25-18-8-6-17(7-9-18)21(22,23)24/h4-11,14H,12-13H2,1-3H3,(H,25,28)
InChIKeyBKWBYCQYGBEDLB-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.21
Rot. Bonds6

About 3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide

3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 113125934) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID113125934
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H23F3N2O2/c1-14(2)16-4-10-19(11-5-16)26(15(3)27)13-12-20(28)25-18-8-6-17(7-9-18)21(22,23)24/h4-11,14H,12-13H2,1-3H3,(H,25,28)
InChIKeyBKWBYCQYGBEDLB-UHFFFAOYSA-N
XLogP5.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113131796
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113125917
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130514
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 113125934) is 3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BKWBYCQYGBEDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-14(2)16-4-10-19(11-5-16)26(15(3)27)13-12-20(28)25-18-8-6-17(7-9-18)21(22,23)24/h4-11,14H,12-13H2,1-3H3,(H,25,28).
What are the key properties of 3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 392.42 g/mol, XLogP of 5.21, 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-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113125934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).