N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide

C20H19FN4O2 — CID 51124285

IUPACN-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1
InChIInChI=1S/C20H19FN4O2/c1-14-11-16(21)5-6-18(14)24-20(27)15-3-2-4-17(12-15)23-19(26)7-9-25-10-8-22-13-25/h2-6,8,10-13H,7,9H2,1H3,(H,23,26)(H,24,27)
InChIKeyZXHUUSNIHWYVMH-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.61
Rot. Bonds6

About N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide

N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide (PubChem CID 51124285) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
PubChem CID51124285
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1
InChIInChI=1S/C20H19FN4O2/c1-14-11-16(21)5-6-18(14)24-20(27)15-3-2-4-17(12-15)23-19(26)7-9-25-10-8-22-13-25/h2-6,8,10-13H,7,9H2,1H3,(H,23,26)(H,24,27)
InChIKeyZXHUUSNIHWYVMH-UHFFFAOYSA-N
XLogP3.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55984370
methyl 2-chloro-5-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoate
CID 55985393
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55985510
methyl 2-[[4-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoyl]amino]acetate
CID 55983857
N-[2-(ethylamino)ethyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119505500
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
N-[3-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]phenyl]-3-imidazol-1-ylpropanamide
CID 55986679
(2R)-2-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363020
3-(3-imidazol-1-ylpropanoylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 47557809
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
3-(3-imidazol-1-ylpropanoylamino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 55987614

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide (CID 51124285) is N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide is Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The InChIKey is ZXHUUSNIHWYVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14-11-16(21)5-6-18(14)24-20(27)15-3-2-4-17(12-15)23-19(26)7-9-25-10-8-22-13-25/h2-6,8,10-13H,7,9H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide has a molecular weight of 366.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide is sourced from PubChem (CID 51124285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).