N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

C21H24F2N2O — CID 11508738

IUPACN-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1-c1ccc(F)cc1F)[C@H]1CCNC1
InChIInChI=1S/C21H24F2N2O/c1-14(2)21(26)25(17-9-10-24-12-17)13-15-5-3-4-6-18(15)19-8-7-16(22)11-20(19)23/h3-8,11,14,17,24H,9-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyHVUDSFSACRHJIR-KRWDZBQOSA-N
MW358.43 g/mol
LogP3.98
Rot. Bonds5

About N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 11508738) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID11508738
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC NameN-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1-c1ccc(F)cc1F)[C@H]1CCNC1
InChIInChI=1S/C21H24F2N2O/c1-14(2)21(26)25(17-9-10-24-12-17)13-15-5-3-4-6-18(15)19-8-7-16(22)11-20(19)23/h3-8,11,14,17,24H,9-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyHVUDSFSACRHJIR-KRWDZBQOSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,5-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288163
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11317764
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754
(2S)-2-Amino-2-cyclohexyl-1-(1,3-dihydro-2H-isoindol-2-YL)ethanone
CID 17751406

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 11508738) is N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)C(=O)N(Cc1ccccc1-c1ccc(F)cc1F)[C@H]1CCNC1.
What is the InChIKey of N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is HVUDSFSACRHJIR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-14(2)21(26)25(17-9-10-24-12-17)13-15-5-3-4-6-18(15)19-8-7-16(22)11-20(19)23/h3-8,11,14,17,24H,9-10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 358.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 11508738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).