3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide

C18H16ClF3N2O2 — CID 113135222

IUPAC3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H16ClF3N2O2/c1-11(25)24(15-7-6-14(20)17(21)18(15)22)9-8-16(26)23-10-12-2-4-13(19)5-3-12/h2-7H,8-10H2,1H3,(H,23,26)
InChIKeyBSBMIUCHGPBXOT-UHFFFAOYSA-N
MW384.79 g/mol
LogP3.82
Rot. Bonds6

About 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide

3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 113135222) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID113135222
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H16ClF3N2O2/c1-11(25)24(15-7-6-14(20)17(21)18(15)22)9-8-16(26)23-10-12-2-4-13(19)5-3-12/h2-7H,8-10H2,1H3,(H,23,26)
InChIKeyBSBMIUCHGPBXOT-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113135240
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064446
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113135212
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113132367
3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113134685
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 113135320
methyl 2-[acetyl-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131230
3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113115145
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide (CID 113135222) is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is BSBMIUCHGPBXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-11(25)24(15-7-6-14(20)17(21)18(15)22)9-8-16(26)23-10-12-2-4-13(19)5-3-12/h2-7H,8-10H2,1H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide?
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 384.79 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113135222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).