(2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C26H29F2N3O — CID 118758712

IUPAC(2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C26H29F2N3O/c1-17(2)30-26(32)25-13-23(29-14-21-9-10-22(27)12-24(21)28)16-31(25)15-18-7-8-19-5-3-4-6-20(19)11-18/h3-12,17,23,25,29H,13-16H2,1-2H3,(H,30,32)/t23-,25+/m1/s1
InChIKeyQOBJDQUOAXKIQN-NOZRDPDXSA-N
MW437.53 g/mol
LogP4.38
Rot. Bonds7

About (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 118758712) has the molecular formula C26H29F2N3O and a molecular weight of 437.53 g/mol. Its IUPAC name is (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID118758712
Molecular FormulaC26H29F2N3O
Molecular Weight437.53 g/mol
Exact Mass437.23
IUPAC Name(2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C26H29F2N3O/c1-17(2)30-26(32)25-13-23(29-14-21-9-10-22(27)12-24(21)28)16-31(25)15-18-7-8-19-5-3-4-6-20(19)11-18/h3-12,17,23,25,29H,13-16H2,1-2H3,(H,30,32)/t23-,25+/m1/s1
InChIKeyQOBJDQUOAXKIQN-NOZRDPDXSA-N
XLogP4.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-benzyl-4-[(2,4-difluorophenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45179273
(2S,4R)-N-ethyl-4-[(4-fluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45212492
(2S,4R)-N-methyl-1-(naphthalen-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 118755358
(2S,4R)-1-benzyl-4-[(3-methoxyphenyl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 126465083
[(2S,4S)-1-benzyl-4-[(2,4-difluorophenyl)methylamino]pyrrolidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 67548030
(2S,4R)-4-[(2,3-dimethoxyphenyl)methylamino]-N-ethyl-1-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 126464454
[(2S,4S)-1-benzyl-4-[(2,4-difluorophenyl)methylamino]pyrrolidin-2-yl]-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]methanone
CID 67548837
(2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 28667830
[1-benzyl-4-[(2,4-difluorophenyl)methylamino]pyrrolidin-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 68722071
(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(2,5-difluorophenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45244853
[1-[(2-chlorophenyl)methyl]-4-[(2,4-difluorophenyl)methylamino]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 141221708
(2S,4R)-1-[(3-chlorophenyl)methyl]-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 45243721

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 118758712) is (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccc2ccccc2c1.
What is the InChIKey of (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is QOBJDQUOAXKIQN-NOZRDPDXSA-N. The full InChI is InChI=1S/C26H29F2N3O/c1-17(2)30-26(32)25-13-23(29-14-21-9-10-22(27)12-24(21)28)16-31(25)15-18-7-8-19-5-3-4-6-20(19)11-18/h3-12,17,23,25,29H,13-16H2,1-2H3,(H,30,32)/t23-,25+/m1/s1.
What are the key properties of (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118758712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).