N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide

C21H23FN4O — CID 46522469

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCC(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C21H23FN4O/c1-15-11-12-24-26(15)19-9-7-16(8-10-19)21(27)23-14-20(25(2)3)17-5-4-6-18(22)13-17/h4-13,20H,14H2,1-3H3,(H,23,27)
InChIKeyQBLIFHUUGXDSKO-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.35
Rot. Bonds6

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 46522469) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID46522469
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCC(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C21H23FN4O/c1-15-11-12-24-26(15)19-9-7-16(8-10-19)21(27)23-14-20(25(2)3)17-5-4-6-18(22)13-17/h4-13,20H,14H2,1-3H3,(H,23,27)
InChIKeyQBLIFHUUGXDSKO-UHFFFAOYSA-N
XLogP3.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46522445
N-[2-(dimethylamino)-2-oxoethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9481086
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 43072487
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9270477
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methyl-3,5-dinitrobenzamide
CID 78778000
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938195

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 46522469) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccnn1-c1ccc(C(=O)NCC(c2cccc(F)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is QBLIFHUUGXDSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15-11-12-24-26(15)19-9-7-16(8-10-19)21(27)23-14-20(25(2)3)17-5-4-6-18(22)13-17/h4-13,20H,14H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 366.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 46522469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).