N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H22FN3O — CID 51262533

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC2CCC1C2)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c1-23-9-8-21-18(23)17(13-4-6-15(20)7-5-13)22-19(24)16-11-12-2-3-14(16)10-12/h4-9,12,14,16-17H,2-3,10-11H2,1H3,(H,22,24)
InChIKeyIWFNYWBMHFDTHR-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.20
Rot. Bonds4

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51262533) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51262533
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC2CCC1C2)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c1-23-9-8-21-18(23)17(13-4-6-15(20)7-5-13)22-19(24)16-11-12-2-3-14(16)10-12/h4-9,12,14,16-17H,2-3,10-11H2,1H3,(H,22,24)
InChIKeyIWFNYWBMHFDTHR-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 47016416
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25390628
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98682472
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 134060260
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 42924349
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95127820
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 166188556
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51927321

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 51262533) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is Cn1ccnc1C(NC(=O)C1CC2CCC1C2)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IWFNYWBMHFDTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-23-9-8-21-18(23)17(13-4-6-15(20)7-5-13)22-19(24)16-11-12-2-3-14(16)10-12/h4-9,12,14,16-17H,2-3,10-11H2,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51262533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).