N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide

C22H23FN2O2 — CID 34178957

IUPACN-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C22H23FN2O2/c23-18-7-3-15(4-8-18)13-21(26)25(20-11-12-20)14-16-1-5-17(6-2-16)22(27)24-19-9-10-19/h1-8,19-20H,9-14H2,(H,24,27)
InChIKeyVVTZNQZJNATOEC-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.45
Rot. Bonds7

About N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide (PubChem CID 34178957) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
PubChem CID34178957
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C22H23FN2O2/c23-18-7-3-15(4-8-18)13-21(26)25(20-11-12-20)14-16-1-5-17(6-2-16)22(27)24-19-9-10-19/h1-8,19-20H,9-14H2,(H,24,27)
InChIKeyVVTZNQZJNATOEC-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 33339728
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CID 33341018
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 78847973
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 46565714
4-[[[2-(cyclopropanecarbonylamino)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55634418
N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
CID 33342098
N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 33342953
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide (CID 34178957) is N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide?
The InChIKey is VVTZNQZJNATOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-7-3-15(4-8-18)13-21(26)25(20-11-12-20)14-16-1-5-17(6-2-16)22(27)24-19-9-10-19/h1-8,19-20H,9-14H2,(H,24,27).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 34178957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).