(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide

C19H26FN5O — CID 97204908

IUPAC(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
SMILESCN(C)[C@@H](C(=O)NCc1nncn1C1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C19H26FN5O/c1-24(2)18(14-7-6-8-15(20)11-14)19(26)21-12-17-23-22-13-25(17)16-9-4-3-5-10-16/h6-8,11,13,16,18H,3-5,9-10,12H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyOAQCAXHVZOVLCW-GOSISDBHSA-N
MW359.45 g/mol
LogP2.84
Rot. Bonds6

About (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide

(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide (PubChem CID 97204908) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
PubChem CID97204908
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
SMILESCN(C)[C@@H](C(=O)NCc1nncn1C1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C19H26FN5O/c1-24(2)18(14-7-6-8-15(20)11-14)19(26)21-12-17-23-22-13-25(17)16-9-4-3-5-10-16/h6-8,11,13,16,18H,3-5,9-10,12H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyOAQCAXHVZOVLCW-GOSISDBHSA-N
XLogP2.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97189861
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide
CID 97209515
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 95119707
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 97194521
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
CID 97187528
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97199895
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97200430
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90650095
1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97205791
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
The IUPAC name of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide (CID 97204908) is (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide is CN(C)[C@@H](C(=O)NCc1nncn1C1CCCCC1)c1cccc(F)c1.
What is the InChIKey of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
The InChIKey is OAQCAXHVZOVLCW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-24(2)18(14-7-6-8-15(20)11-14)19(26)21-12-17-23-22-13-25(17)16-9-4-3-5-10-16/h6-8,11,13,16,18H,3-5,9-10,12H2,1-2H3,(H,21,26)/t18-/m1/s1.
What are the key properties of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 97204908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).