N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide

C23H26F3NO — CID 67957766

IUPACN-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide
SMILESCCc1ccc(C(C(=O)Nc2cccc(CC3CC3)c2)C(C)C(F)(F)F)cc1
InChIInChI=1S/C23H26F3NO/c1-3-16-9-11-19(12-10-16)21(15(2)23(24,25)26)22(28)27-20-6-4-5-18(14-20)13-17-7-8-17/h4-6,9-12,14-15,17,21H,3,7-8,13H2,1-2H3,(H,27,28)
InChIKeyDRKSAWXJXDHNAY-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.12
Rot. Bonds7

About N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide

N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide (PubChem CID 67957766) has the molecular formula C23H26F3NO and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide
PubChem CID67957766
Molecular FormulaC23H26F3NO
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide
SMILESCCc1ccc(C(C(=O)Nc2cccc(CC3CC3)c2)C(C)C(F)(F)F)cc1
InChIInChI=1S/C23H26F3NO/c1-3-16-9-11-19(12-10-16)21(15(2)23(24,25)26)22(28)27-20-6-4-5-18(14-20)13-17-7-8-17/h4-6,9-12,14-15,17,21H,3,7-8,13H2,1-2H3,(H,27,28)
InChIKeyDRKSAWXJXDHNAY-UHFFFAOYSA-N
XLogP6.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;N-[3-(cyclopropylmethyl)phenyl]-4,4,4-trifluoro-3-methyl-2-[4-(trifluoromethoxy)phenyl]butanamide
CID 118091065
carbonic acid;(2S,3R)-2-(4-chlorophenyl)-N-[2-cyclopropyl-5-(cyclopropylmethyl)phenyl]-4,4,4-trifluoro-3-methylbutanamide
CID 118091026
1-[[3-[[4,4,4-trifluoro-3-methyl-2-[4-(trifluoromethoxy)phenyl]butanoyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 88548606
2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 118091125
carbonic acid;N-[3-(cyclopropylmethyl)phenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pentanamide
CID 68746378
(2S,3R)-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanoic acid
CID 89455084
(2S)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 118091164
2-[[3-[[(2S,3R)-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]-4-fluorophenyl]methyl]-3,3-dimethylbutanoic acid
CID 67215944
(3R)-3-[4-chloro-3-[[(2S,3R)-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]phenyl]butanoic acid
CID 58288286
3-[4-chloro-3-[[(2S,3R)-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]phenyl]butanoic acid
CID 52920504
2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide
CID 68751327
2-[1-[3-[[(2S,3R)-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]-4-fluorophenyl]cyclopropyl]propanoic acid
CID 67216320

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide?
The IUPAC name of N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide (CID 67957766) is N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide is CCc1ccc(C(C(=O)Nc2cccc(CC3CC3)c2)C(C)C(F)(F)F)cc1.
What is the InChIKey of N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide?
The InChIKey is DRKSAWXJXDHNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3NO/c1-3-16-9-11-19(12-10-16)21(15(2)23(24,25)26)22(28)27-20-6-4-5-18(14-20)13-17-7-8-17/h4-6,9-12,14-15,17,21H,3,7-8,13H2,1-2H3,(H,27,28).
What are the key properties of N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide?
N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide has a molecular weight of 389.46 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide is sourced from PubChem (CID 67957766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).