(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide

C19H20F4N2O — CID 163242490

IUPAC(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide
SMILESC[C@H](N)C(=O)NC(C)(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H20F4N2O/c1-11(24)18(26)25-19(2,9-12-3-14(20)7-15(21)4-12)10-13-5-16(22)8-17(23)6-13/h3-8,11H,9-10,24H2,1-2H3,(H,25,26)/t11-/m0/s1
InChIKeyCZOUGBVYSDIKSQ-NSHDSACASA-N
MW368.37 g/mol
LogP3.25
Rot. Bonds6

About (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide

(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide (PubChem CID 163242490) has the molecular formula C19H20F4N2O and a molecular weight of 368.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide
PubChem CID163242490
Molecular FormulaC19H20F4N2O
Molecular Weight368.37 g/mol
Exact Mass368.15
IUPAC Name(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide
SMILESC[C@H](N)C(=O)NC(C)(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H20F4N2O/c1-11(24)18(26)25-19(2,9-12-3-14(20)7-15(21)4-12)10-13-5-16(22)8-17(23)6-13/h3-8,11H,9-10,24H2,1-2H3,(H,25,26)/t11-/m0/s1
InChIKeyCZOUGBVYSDIKSQ-NSHDSACASA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,5-difluorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate
CID 118878537
2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 118878544
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride
CID 119300582
3-amino-2-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 105411814
(2R)-2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242373
2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 70921104
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
CID 20790190
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide (CID 163242490) is (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide is C[C@H](N)C(=O)NC(C)(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1.
What is the InChIKey of (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide?
The InChIKey is CZOUGBVYSDIKSQ-NSHDSACASA-N. The full InChI is InChI=1S/C19H20F4N2O/c1-11(24)18(26)25-19(2,9-12-3-14(20)7-15(21)4-12)10-13-5-16(22)8-17(23)6-13/h3-8,11H,9-10,24H2,1-2H3,(H,25,26)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide?
(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide has a molecular weight of 368.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide is sourced from PubChem (CID 163242490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).