N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide

C17H23F3N2O3 — CID 71178735

IUPACN-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N[C@H](COC(F)F)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-17(2,3)8-14(23)22-13(10-25-16(19)20)15(24)21-9-11-4-6-12(18)7-5-11/h4-7,13,16H,8-10H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyZSDZPYFKZXGKPU-CYBMUJFWSA-N
MW360.38 g/mol
LogP2.60
Rot. Bonds8

About N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide

N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide (PubChem CID 71178735) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide
PubChem CID71178735
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC NameN-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N[C@H](COC(F)F)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-17(2,3)8-14(23)22-13(10-25-16(19)20)15(24)21-9-11-4-6-12(18)7-5-11/h4-7,13,16H,8-10H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyZSDZPYFKZXGKPU-CYBMUJFWSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 25474927
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide
CID 21268066
(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
CID 44538367
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 54757476
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
1-[(4-fluorophenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108867688
[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid
CID 23648565
2-acetamido-N-[[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide
CID 75044765
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
2-bromo-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 24695966
(4S)-4-[[2-(4-bromophenyl)acetyl]amino]-5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid
CID 177371458

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide (CID 71178735) is N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N[C@H](COC(F)F)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is ZSDZPYFKZXGKPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-17(2,3)8-14(23)22-13(10-25-16(19)20)15(24)21-9-11-4-6-12(18)7-5-11/h4-7,13,16H,8-10H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 360.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(difluoromethoxy)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 71178735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).