N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide

C22H25FN2O2 — CID 9479093

IUPACN-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCC(C)c1ccc(CN(C(=O)CNC(=O)c2ccccc2F)C2CC2)cc1
InChIInChI=1S/C22H25FN2O2/c1-15(2)17-9-7-16(8-10-17)14-25(18-11-12-18)21(26)13-24-22(27)19-5-3-4-6-20(19)23/h3-10,15,18H,11-14H2,1-2H3,(H,24,27)
InChIKeyCKCIAHRIIMBVQQ-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.87
Rot. Bonds7

About N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 9479093) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID9479093
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCC(C)c1ccc(CN(C(=O)CNC(=O)c2ccccc2F)C2CC2)cc1
InChIInChI=1S/C22H25FN2O2/c1-15(2)17-9-7-16(8-10-17)14-25(18-11-12-18)21(26)13-24-22(27)19-5-3-4-6-20(19)23/h3-10,15,18H,11-14H2,1-2H3,(H,24,27)
InChIKeyCKCIAHRIIMBVQQ-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9479104
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 29304745
N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 39968084
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 31784528
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050
2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
CID 55974318
N-cyclopropyl-2-(2-hydroxyphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813389
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813388
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide (CID 9479093) is N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide is CC(C)c1ccc(CN(C(=O)CNC(=O)c2ccccc2F)C2CC2)cc1.
What is the InChIKey of N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is CKCIAHRIIMBVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15(2)17-9-7-16(8-10-17)14-25(18-11-12-18)21(26)13-24-22(27)19-5-3-4-6-20(19)23/h3-10,15,18H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 368.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 9479093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).