4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide

C18H26FN3O2 — CID 98309633

IUPAC4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
SMILESCN(C)[C@@H](C(=O)NCC1CCC(C(N)=O)CC1)c1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-22(2)16(14-5-3-4-6-15(14)19)18(24)21-11-12-7-9-13(10-8-12)17(20)23/h3-6,12-13,16H,7-11H2,1-2H3,(H2,20,23)(H,21,24)/t12?,13?,16-/m1/s1
InChIKeyHWPWXOVUHZVVSG-SEEARECTSA-N
MW335.42 g/mol
LogP1.84
Rot. Bonds6

About 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide

4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide (PubChem CID 98309633) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
PubChem CID98309633
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
SMILESCN(C)[C@@H](C(=O)NCC1CCC(C(N)=O)CC1)c1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-22(2)16(14-5-3-4-6-15(14)19)18(24)21-11-12-7-9-13(10-8-12)17(20)23/h3-6,12-13,16H,7-11H2,1-2H3,(H2,20,23)(H,21,24)/t12?,13?,16-/m1/s1
InChIKeyHWPWXOVUHZVVSG-SEEARECTSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98348179
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
CID 97133447
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 97203656
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155807
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
(2S)-N-[(4-cyanophenyl)methyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 97129161

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide (CID 98309633) is 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide is CN(C)[C@@H](C(=O)NCC1CCC(C(N)=O)CC1)c1ccccc1F.
What is the InChIKey of 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is HWPWXOVUHZVVSG-SEEARECTSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-22(2)16(14-5-3-4-6-15(14)19)18(24)21-11-12-7-9-13(10-8-12)17(20)23/h3-6,12-13,16H,7-11H2,1-2H3,(H2,20,23)(H,21,24)/t12?,13?,16-/m1/s1.
What are the key properties of 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide?
4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 98309633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).