(2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide

C17H22F2N4O — CID 95164467

IUPAC(2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1F)n1ccnc1
InChIInChI=1S/C17H22F2N4O/c1-13(23-7-6-20-12-23)17(24)22(9-8-21(2)3)11-14-4-5-15(18)10-16(14)19/h4-7,10,12-13H,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyXUEFFFPSKKSQOH-CYBMUJFWSA-N
MW336.39 g/mol
LogP2.31
Rot. Bonds7

About (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide

(2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide (PubChem CID 95164467) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide
PubChem CID95164467
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1F)n1ccnc1
InChIInChI=1S/C17H22F2N4O/c1-13(23-7-6-20-12-23)17(24)22(9-8-21(2)3)11-14-4-5-15(18)10-16(14)19/h4-7,10,12-13H,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyXUEFFFPSKKSQOH-CYBMUJFWSA-N
XLogP2.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 113221540
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993055
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide
CID 120993056
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 60598705
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
CID 60598560
(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94364637
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 94456522
N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide
CID 46340029
3-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 117042209

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide (CID 95164467) is (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide is C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1F)n1ccnc1.
What is the InChIKey of (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide?
The InChIKey is XUEFFFPSKKSQOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22F2N4O/c1-13(23-7-6-20-12-23)17(24)22(9-8-21(2)3)11-14-4-5-15(18)10-16(14)19/h4-7,10,12-13H,8-9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide?
(2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide has a molecular weight of 336.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 95164467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).