N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

C16H18F3N3O3 — CID 55881355

IUPACN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCn1ccnc1COc1ccc(NC(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O3/c1-22-8-7-20-14(22)10-25-13-4-2-12(3-5-13)21-15(23)6-9-24-11-16(17,18)19/h2-5,7-8H,6,9-11H2,1H3,(H,21,23)
InChIKeyFOXFLDSLNLHWID-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.91
Rot. Bonds8

About N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 55881355) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID55881355
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCn1ccnc1COc1ccc(NC(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O3/c1-22-8-7-20-14(22)10-25-13-4-2-12(3-5-13)21-15(23)6-9-24-11-16(17,18)19/h2-5,7-8H,6,9-11H2,1H3,(H,21,23)
InChIKeyFOXFLDSLNLHWID-UHFFFAOYSA-N
XLogP2.91
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55767360
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 60521657
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide
CID 56513837
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119858947
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride
CID 120503212
2,2-dichloro-1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide
CID 47045605
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55854248

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 55881355) is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is Cn1ccnc1COc1ccc(NC(=O)CCOCC(F)(F)F)cc1.
What is the InChIKey of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FOXFLDSLNLHWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-22-8-7-20-14(22)10-25-13-4-2-12(3-5-13)21-15(23)6-9-24-11-16(17,18)19/h2-5,7-8H,6,9-11H2,1H3,(H,21,23).
What are the key properties of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 357.33 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 55881355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).