2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

C21H24F3N3O2 — CID 42911850

IUPAC2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCc1cccc(NC(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1
InChIInChI=1S/C21H24F3N3O2/c1-14-4-3-5-17(12-14)25-15(2)20(28)26-18-13-16(21(22,23)24)6-7-19(18)27-8-10-29-11-9-27/h3-7,12-13,15,25H,8-11H2,1-2H3,(H,26,28)
InChIKeyJJSANCKQDPTNJI-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.29
Rot. Bonds5

About 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 42911850) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID42911850
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCc1cccc(NC(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1
InChIInChI=1S/C21H24F3N3O2/c1-14-4-3-5-17(12-14)25-15(2)20(28)26-18-13-16(21(22,23)24)6-7-19(18)27-8-10-29-11-9-27/h3-7,12-13,15,25H,8-11H2,1-2H3,(H,26,28)
InChIKeyJJSANCKQDPTNJI-UHFFFAOYSA-N
XLogP4.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40809995
N-(3-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 24687588
(2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 40795984
(2S)-2-(2-methoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40973577
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
2-(2-ethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4880385
(2S)-2-(2,4-dimethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40785642
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912272
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
(2R)-2-(2,4-dimethylimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 92808243
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912252
2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 112781252

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (CID 42911850) is 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is Cc1cccc(NC(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JJSANCKQDPTNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-14-4-3-5-17(12-14)25-15(2)20(28)26-18-13-16(21(22,23)24)6-7-19(18)27-8-10-29-11-9-27/h3-7,12-13,15,25H,8-11H2,1-2H3,(H,26,28).
What are the key properties of 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 407.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42911850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).