N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide

C20H21FN4O — CID 167484775

IUPACN-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide
SMILESCCN(C(=O)c1cccc(F)c1)c1cccc(N(C)Cc2cnc[nH]2)c1
InChIInChI=1S/C20H21FN4O/c1-3-25(20(26)15-6-4-7-16(21)10-15)19-9-5-8-18(11-19)24(2)13-17-12-22-14-23-17/h4-12,14H,3,13H2,1-2H3,(H,22,23)
InChIKeyXOIDOISSGZREMA-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.85
Rot. Bonds6

About N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide

N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide (PubChem CID 167484775) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide
PubChem CID167484775
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide
SMILESCCN(C(=O)c1cccc(F)c1)c1cccc(N(C)Cc2cnc[nH]2)c1
InChIInChI=1S/C20H21FN4O/c1-3-25(20(26)15-6-4-7-16(21)10-15)19-9-5-8-18(11-19)24(2)13-17-12-22-14-23-17/h4-12,14H,3,13H2,1-2H3,(H,22,23)
InChIKeyXOIDOISSGZREMA-UHFFFAOYSA-N
XLogP3.85
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline;N-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylaniline;3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline;N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 160512240
2-chloro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]-N-(2-methylpropyl)benzamide
CID 167484683
3-bromo-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline;3-bromo-N-(1H-imidazol-5-ylmethyl)-N-methylaniline;3,4-difluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 162130757
N-ethyl-N-(3-fluorophenyl)-1H-indazole-6-carboxamide
CID 62905806
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 59728081
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
3-(3-fluoro-N-(3-fluorobenzoyl)anilino)propanoic acid
CID 82321619
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 63102705
N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]pyridine-3-carboxamide
CID 59397409

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide?
The IUPAC name of N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide (CID 167484775) is N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide?
The canonical SMILES for N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide is CCN(C(=O)c1cccc(F)c1)c1cccc(N(C)Cc2cnc[nH]2)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide?
The InChIKey is XOIDOISSGZREMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-3-25(20(26)15-6-4-7-16(21)10-15)19-9-5-8-18(11-19)24(2)13-17-12-22-14-23-17/h4-12,14H,3,13H2,1-2H3,(H,22,23).
What are the key properties of N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide?
N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide has a molecular weight of 352.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide is sourced from PubChem (CID 167484775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).