4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide

C20H21FN2O2 — CID 51292326

IUPAC4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O2/c1-22-19(24)15-5-3-13(4-6-15)12-23(2)20(25)18-11-17(18)14-7-9-16(21)10-8-14/h3-10,17-18H,11-12H2,1-2H3,(H,22,24)
InChIKeyHCHRKXILXTXCNW-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.95
Rot. Bonds5

About 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 51292326) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID51292326
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O2/c1-22-19(24)15-5-3-13(4-6-15)12-23(2)20(25)18-11-17(18)14-7-9-16(21)10-8-14/h3-10,17-18H,11-12H2,1-2H3,(H,22,24)
InChIKeyHCHRKXILXTXCNW-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
CID 97061376
2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948397
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
N-[(4-cyanophenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134004257
4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide
CID 97060723
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 51292110
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 8966947
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide
CID 111695531
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 60944866
5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 8967449

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide (CID 51292326) is 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)C(=O)C2CC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is HCHRKXILXTXCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-22-19(24)15-5-3-13(4-6-15)12-23(2)20(25)18-11-17(18)14-7-9-16(21)10-8-14/h3-10,17-18H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 340.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 51292326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).