N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide

C19H18FN3O2 — CID 31533466

IUPACN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)cc1F
InChIInChI=1S/C19H18FN3O2/c1-13(15-5-8-18(25-2)17(20)11-15)22-19(24)14-3-6-16(7-4-14)23-10-9-21-12-23/h3-13H,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyYYKBSDPJMFYLKL-CYBMUJFWSA-N
MW339.37 g/mol
LogP3.51
Rot. Bonds5

About N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide

N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide (PubChem CID 31533466) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
PubChem CID31533466
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)cc1F
InChIInChI=1S/C19H18FN3O2/c1-13(15-5-8-18(25-2)17(20)11-15)22-19(24)14-3-6-16(7-4-14)23-10-9-21-12-23/h3-13H,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyYYKBSDPJMFYLKL-CYBMUJFWSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86991062
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 51214323
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4845845
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 41254072
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide (CID 31533466) is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide is COc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)cc1F.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide?
The InChIKey is YYKBSDPJMFYLKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13(15-5-8-18(25-2)17(20)11-15)22-19(24)14-3-6-16(7-4-14)23-10-9-21-12-23/h3-13H,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide?
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 31533466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).