(2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C24H27F3N4O3 — CID 40795984

IUPAC(2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESC[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C24H27F3N4O3/c1-16(28-18-5-7-19(8-6-18)31-10-2-3-22(31)32)23(33)29-20-15-17(24(25,26)27)4-9-21(20)30-11-13-34-14-12-30/h4-9,15-16,28H,2-3,10-14H2,1H3,(H,29,33)/t16-/m1/s1
InChIKeyKHVZUHUNAQMNDI-MRXNPFEDSA-N
MW476.50 g/mol
LogP4.11
Rot. Bonds6

About (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

(2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 40795984) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID40795984
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC Name(2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESC[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C24H27F3N4O3/c1-16(28-18-5-7-19(8-6-18)31-10-2-3-22(31)32)23(33)29-20-15-17(24(25,26)27)4-9-21(20)30-11-13-34-14-12-30/h4-9,15-16,28H,2-3,10-14H2,1H3,(H,29,33)/t16-/m1/s1
InChIKeyKHVZUHUNAQMNDI-MRXNPFEDSA-N
XLogP4.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42911850
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
(2S)-2-(2-methoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40973577
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
(2S)-2-(2,4-dimethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40785642
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4676497
2-(2-ethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4880385
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 41083870

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 40795984) is (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is KHVZUHUNAQMNDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-16(28-18-5-7-19(8-6-18)31-10-2-3-22(31)32)23(33)29-20-15-17(24(25,26)27)4-9-21(20)30-11-13-34-14-12-30/h4-9,15-16,28H,2-3,10-14H2,1H3,(H,29,33)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
(2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 476.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 40795984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).