(2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide

C16H17F2N5O — CID 95902916

IUPAC(2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C16H17F2N5O/c1-11(15(24)21-13-5-3-4-12(8-13)9-19)22(2)10-14-20-6-7-23(14)16(17)18/h3-8,11,16H,10H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKeyHNOPDCOVVQXHEZ-LLVKDONJSA-N
MW333.34 g/mol
LogP2.61
Rot. Bonds6

About (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide

(2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide (PubChem CID 95902916) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide
PubChem CID95902916
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC Name(2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C16H17F2N5O/c1-11(15(24)21-13-5-3-4-12(8-13)9-19)22(2)10-14-20-6-7-23(14)16(17)18/h3-8,11,16H,10H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKeyHNOPDCOVVQXHEZ-LLVKDONJSA-N
XLogP2.61
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 95902904
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432176
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 8747232
N-[3-[[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]amino]methyl]phenyl]-2-methylbutanamide
CID 87008104
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide (CID 95902916) is (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide is C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1nccn1C(F)F.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide?
The InChIKey is HNOPDCOVVQXHEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17F2N5O/c1-11(15(24)21-13-5-3-4-12(8-13)9-19)22(2)10-14-20-6-7-23(14)16(17)18/h3-8,11,16H,10H2,1-2H3,(H,21,24)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide?
(2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide has a molecular weight of 333.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide is sourced from PubChem (CID 95902916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).