(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide

C19H19F3N2O2 — CID 26700777

IUPAC(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H19F3N2O2/c1-12-3-5-14(6-4-12)17(23-13(2)25)11-18(26)24-16-9-7-15(8-10-16)19(20,21)22/h3-10,17H,11H2,1-2H3,(H,23,25)(H,24,26)/t17-/m0/s1
InChIKeyNKEFDONATCPNPF-KRWDZBQOSA-N
MW364.37 g/mol
LogP4.22
Rot. Bonds5

About (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide

(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 26700777) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID26700777
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H19F3N2O2/c1-12-3-5-14(6-4-12)17(23-13(2)25)11-18(26)24-16-9-7-15(8-10-16)19(20,21)22/h3-10,17H,11H2,1-2H3,(H,23,25)(H,24,26)/t17-/m0/s1
InChIKeyNKEFDONATCPNPF-KRWDZBQOSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55377378
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
CID 55799139
methyl 5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-chlorobenzoate
CID 55556906

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 26700777) is (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is CC(=O)N[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1.
What is the InChIKey of (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NKEFDONATCPNPF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12-3-5-14(6-4-12)17(23-13(2)25)11-18(26)24-16-9-7-15(8-10-16)19(20,21)22/h3-10,17H,11H2,1-2H3,(H,23,25)(H,24,26)/t17-/m0/s1.
What are the key properties of (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide?
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 364.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 26700777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).