1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide

C18H26FN3O2 — CID 97203905

IUPAC1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)[C@@H](c2ccc(F)cc2)N(C)C)CCCCC1
InChIInChI=1S/C18H26FN3O2/c1-20-17(24)18(11-5-4-6-12-18)21-16(23)15(22(2)3)13-7-9-14(19)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyAZXREDPKQSWAIX-OAHLLOKOSA-N
MW335.42 g/mol
LogP1.99
Rot. Bonds5

About 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide

1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 97203905) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
PubChem CID97203905
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)[C@@H](c2ccc(F)cc2)N(C)C)CCCCC1
InChIInChI=1S/C18H26FN3O2/c1-20-17(24)18(11-5-4-6-12-18)21-16(23)15(22(2)3)13-7-9-14(19)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyAZXREDPKQSWAIX-OAHLLOKOSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 72892390
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97145403
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
CID 97202386
1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97205791
1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 118774705
2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide
CID 72878854
1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119850679
1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide
CID 91837261
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide
CID 97201308
1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 119070824
1-cyano-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 61459924

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide (CID 97203905) is 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(NC(=O)[C@@H](c2ccc(F)cc2)N(C)C)CCCCC1.
What is the InChIKey of 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is AZXREDPKQSWAIX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-20-17(24)18(11-5-4-6-12-18)21-16(23)15(22(2)3)13-7-9-14(19)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,24)(H,21,23)/t15-/m1/s1.
What are the key properties of 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide?
1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 97203905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).