N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide

C24H22ClFN2O2 — CID 71041743

IUPACN-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CC1(c2ccc(F)cc2)CC1)N(Cc1ccccn1)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClFN2O2/c25-19-8-4-17(5-9-19)23(30)28(16-21-3-1-2-14-27-21)22(29)15-24(12-13-24)18-6-10-20(26)11-7-18/h1-11,14,23,30H,12-13,15-16H2/t23-/m1/s1
InChIKeyGXLGJSJFOKQGCI-HSZRJFAPSA-N
MW424.90 g/mol
LogP5.02
Rot. Bonds7

About N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide

N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 71041743) has the molecular formula C24H22ClFN2O2 and a molecular weight of 424.90 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID71041743
Molecular FormulaC24H22ClFN2O2
Molecular Weight424.90 g/mol
Exact Mass424.14
IUPAC NameN-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CC1(c2ccc(F)cc2)CC1)N(Cc1ccccn1)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClFN2O2/c25-19-8-4-17(5-9-19)23(30)28(16-21-3-1-2-14-27-21)22(29)15-24(12-13-24)18-6-10-20(26)11-7-18/h1-11,14,23,30H,12-13,15-16H2/t23-/m1/s1
InChIKeyGXLGJSJFOKQGCI-HSZRJFAPSA-N
XLogP5.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.90
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 46967234
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238311
4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline
CID 115913060
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296724
4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 122156566
(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 97201502
N-(2-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296355
N-[(4-chlorophenyl)-cyclopropylmethyl]-N-(pyridin-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]sulfonylacetamide
CID 71023600
2-(4-fluorophenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 71468931
(4R,5S)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-[cyclopropyl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 67999154
2-[4-chloro-N-(pyridin-2-ylmethyl)anilino]acetic acid
CID 54925675

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide (CID 71041743) is N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CC1(c2ccc(F)cc2)CC1)N(Cc1ccccn1)[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GXLGJSJFOKQGCI-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22ClFN2O2/c25-19-8-4-17(5-9-19)23(30)28(16-21-3-1-2-14-27-21)22(29)15-24(12-13-24)18-6-10-20(26)11-7-18/h1-11,14,23,30H,12-13,15-16H2/t23-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide?
N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 424.90 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 71041743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).