4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide

C19H24FNO2 — CID 145467397

IUPAC4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCO[C@H](c1ccc(C2=CCC(C(N)=O)CC2)cc1)C1(CF)CC1
InChIInChI=1S/C19H24FNO2/c1-23-17(19(12-20)10-11-19)15-6-2-13(3-7-15)14-4-8-16(9-5-14)18(21)22/h2-4,6-7,16-17H,5,8-12H2,1H3,(H2,21,22)/t16?,17-/m1/s1
InChIKeyOUHSTKUALJXQEN-ZYMOGRSISA-N
MW317.40 g/mol
LogP3.79
Rot. Bonds6

About 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide

4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 145467397) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID145467397
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCO[C@H](c1ccc(C2=CCC(C(N)=O)CC2)cc1)C1(CF)CC1
InChIInChI=1S/C19H24FNO2/c1-23-17(19(12-20)10-11-19)15-6-2-13(3-7-15)14-4-8-16(9-5-14)18(21)22/h2-4,6-7,16-17H,5,8-12H2,1H3,(H2,21,22)/t16?,17-/m1/s1
InChIKeyOUHSTKUALJXQEN-ZYMOGRSISA-N
XLogP3.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl] 4-carbamoylcyclohexane-1-carboxylate
CID 97790872
2-Fluoro-4-(5-pentyloxan-2-yl)benzamide
CID 21248110
2-Fluoro-4-(4-pentyloxan-2-yl)benzamide
CID 57189797
4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-methylbutanamide
CID 59568775
2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568779
(2R)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
CID 59568788
(S)-2-((R)-2-(4-fluorophenyl)-2-methoxyethyl)-N-hydroxyhexanamide
CID 59568803
4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide
CID 59568817
(2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568827
(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
CID 59568831
(2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568836
(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxypent-4-enamide
CID 59568851

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide (CID 145467397) is 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide is CO[C@H](c1ccc(C2=CCC(C(N)=O)CC2)cc1)C1(CF)CC1.
What is the InChIKey of 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is OUHSTKUALJXQEN-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H24FNO2/c1-23-17(19(12-20)10-11-19)15-6-2-13(3-7-15)14-4-8-16(9-5-14)18(21)22/h2-4,6-7,16-17H,5,8-12H2,1H3,(H2,21,22)/t16?,17-/m1/s1.
What are the key properties of 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide?
4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(R)-[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 145467397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).