2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide

C19H17F2N3O2 — CID 25339816

IUPAC2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1
InChIInChI=1S/C19H17F2N3O2/c1-24-12-11-22-17(24)16(13-7-3-2-4-8-13)23-18(25)14-9-5-6-10-15(14)26-19(20)21/h2-12,16,19H,1H3,(H,23,25)/t16-/m1/s1
InChIKeyKPEFFXNVCUVROH-MRXNPFEDSA-N
MW357.36 g/mol
LogP3.54
Rot. Bonds6

About 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide

2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 25339816) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID25339816
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1
InChIInChI=1S/C19H17F2N3O2/c1-24-12-11-22-17(24)16(13-7-3-2-4-8-13)23-18(25)14-9-5-6-10-15(14)26-19(20)21/h2-12,16,19H,1H3,(H,23,25)/t16-/m1/s1
InChIKeyKPEFFXNVCUVROH-MRXNPFEDSA-N
XLogP3.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25345660
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 45355242
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
3-(difluoromethoxy)-4-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55759400
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645
2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595371
[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 24590056
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27453749

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 25339816) is 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide is Cn1ccnc1[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1.
What is the InChIKey of 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is KPEFFXNVCUVROH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-24-12-11-22-17(24)16(13-7-3-2-4-8-13)23-18(25)14-9-5-6-10-15(14)26-19(20)21/h2-12,16,19H,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 357.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 25339816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).