3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide

C19H19F3N2O3 — CID 56689192

IUPAC3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2cccc(C)c2)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12-4-3-5-14(10-12)23-17(25)11-16(24-18(26)19(20,21)22)13-6-8-15(27-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYJBUZHJYLNEZAN-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.75
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide

3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 56689192) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID56689192
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2cccc(C)c2)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12-4-3-5-14(10-12)23-17(25)11-16(24-18(26)19(20,21)22)13-6-8-15(27-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYJBUZHJYLNEZAN-UHFFFAOYSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 3730733
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 71078628
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(3-methylphenyl)thiourea
CID 133215619
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
(3R)-3-(4-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 7084661

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 56689192) is 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide is COc1ccc(C(CC(=O)Nc2cccc(C)c2)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is YJBUZHJYLNEZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12-4-3-5-14(10-12)23-17(25)11-16(24-18(26)19(20,21)22)13-6-8-15(27-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 380.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 56689192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).