2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide

C25H22FN3O2 — CID 25345660

IUPAC2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C25H22FN3O2/c1-29-16-15-27-24(29)23(19-7-3-2-4-8-19)28-25(30)21-9-5-6-10-22(21)31-17-18-11-13-20(26)14-12-18/h2-16,23H,17H2,1H3,(H,28,30)/t23-/m0/s1
InChIKeyNWQPIJYLZPRZBP-QHCPKHFHSA-N
MW415.47 g/mol
LogP4.66
Rot. Bonds7

About 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide

2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 25345660) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID25345660
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C25H22FN3O2/c1-29-16-15-27-24(29)23(19-7-3-2-4-8-19)28-25(30)21-9-5-6-10-22(21)31-17-18-11-13-20(26)14-12-18/h2-16,23H,17H2,1H3,(H,28,30)/t23-/m0/s1
InChIKeyNWQPIJYLZPRZBP-QHCPKHFHSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 45355242
2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25339816
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27453749
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide
CID 25390282
[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 24590056
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25350304
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide
CID 24625616

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 25345660) is 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide is Cn1ccnc1[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is NWQPIJYLZPRZBP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-29-16-15-27-24(29)23(19-7-3-2-4-8-19)28-25(30)21-9-5-6-10-22(21)31-17-18-11-13-20(26)14-12-18/h2-16,23H,17H2,1H3,(H,28,30)/t23-/m0/s1.
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 25345660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).