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

C19H17F2N3O2 — CID 25324448

IUPAC4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H17F2N3O2/c1-24-12-11-22-17(24)16(13-5-3-2-4-6-13)23-18(25)14-7-9-15(10-8-14)26-19(20)21/h2-12,16,19H,1H3,(H,23,25)/t16-/m0/s1
InChIKeyLYMCZRIKNRXIDN-INIZCTEOSA-N
MW357.36 g/mol
LogP3.54
Rot. Bonds6

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

4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 25324448) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID25324448
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H17F2N3O2/c1-24-12-11-22-17(24)16(13-5-3-2-4-6-13)23-18(25)14-7-9-15(10-8-14)26-19(20)21/h2-12,16,19H,1H3,(H,23,25)/t16-/m0/s1
InChIKeyLYMCZRIKNRXIDN-INIZCTEOSA-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-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide
CID 56545477
2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25339816
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 25324448) is 4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide is Cn1ccnc1[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is LYMCZRIKNRXIDN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-24-12-11-22-17(24)16(13-5-3-2-4-6-13)23-18(25)14-7-9-15(10-8-14)26-19(20)21/h2-12,16,19H,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
4-(difluoromethoxy)-N-[(S)-(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 4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 25324448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).