N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide

C19H25FN2O2 — CID 146603069

IUPACN-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide
SMILESO=C(CNC12CC3CC(CC(O)(C3)C1)C2)NCc1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c20-16-3-1-13(2-4-16)10-21-17(23)11-22-18-6-14-5-15(7-18)9-19(24,8-14)12-18/h1-4,14-15,22,24H,5-12H2,(H,21,23)
InChIKeyIPHPWMBYZYZBRF-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.12
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide

N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide (PubChem CID 146603069) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide
PubChem CID146603069
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide
SMILESO=C(CNC12CC3CC(CC(O)(C3)C1)C2)NCc1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c20-16-3-1-13(2-4-16)10-21-17(23)11-22-18-6-14-5-15(7-18)9-19(24,8-14)12-18/h1-4,14-15,22,24H,5-12H2,(H,21,23)
InChIKeyIPHPWMBYZYZBRF-UHFFFAOYSA-N
XLogP2.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-hydroxy-3-[4-[[(3-hydroxy-1-adamantyl)amino]methyl]phenyl]prop-2-enamide
CID 46199388
[3-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-1-adamantyl] N-[(2,4-difluorophenyl)methyl]carbamate
CID 172444496
[3-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-1-adamantyl] N-(2-fluoroethyl)carbamate
CID 172446065
3-(Benzylamino)-1-adamantanol
CID 17216439
N-(5-hydroxy-2-adamantyl)-1-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropane-1-carboxamide
CID 11690024
3-fluoro-N-[[4-[(3-hydroxy-1-adamantyl)carbamoyl]phenyl]methyl]-N-methylbenzamide
CID 57690316
Benzyl-(3,5-difluoro-7-hydroxy-1-adamantyl)carbamic acid
CID 66720237
4-[[[2-(3-fluorophenyl)-2-oxoethyl]amino]methyl]-N-(3-hydroxy-1-adamantyl)benzamide
CID 68800861
2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide
CID 135389653
2,2,2-trifluoro-N-[(R)-[(2R,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide
CID 137473760
2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 146602991
N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide
CID 146602994

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide (CID 146603069) is N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide is O=C(CNC12CC3CC(CC(O)(C3)C1)C2)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide?
The InChIKey is IPHPWMBYZYZBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-3-1-13(2-4-16)10-21-17(23)11-22-18-6-14-5-15(7-18)9-19(24,8-14)12-18/h1-4,14-15,22,24H,5-12H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide has a molecular weight of 332.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-1-adamantyl)amino]acetamide is sourced from PubChem (CID 146603069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).