N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide

C22H25FN2O2 — CID 46045906

IUPACN-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)NC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1
InChIInChI=1S/C22H25FN2O2/c1-15(2)24-21(26)13-16-6-10-20(11-7-16)25(22(27)18-8-9-18)14-17-4-3-5-19(23)12-17/h3-7,10-12,15,18H,8-9,13-14H2,1-2H3,(H,24,26)
InChIKeyMCWJEMYKHWHOFB-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.84
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 46045906) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID46045906
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)NC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1
InChIInChI=1S/C22H25FN2O2/c1-15(2)24-21(26)13-16-6-10-20(11-7-16)25(22(27)18-8-9-18)14-17-4-3-5-19(23)12-17/h3-7,10-12,15,18H,8-9,13-14H2,1-2H3,(H,24,26)
InChIKeyMCWJEMYKHWHOFB-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046019
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide
CID 46052623
3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 46045658
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]phenyl]cyclopentanecarboxamide
CID 170566196
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 42852835
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-3-methylbutanamide
CID 46046236
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93329337
N-[(3-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045881
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
N-[(3-fluorophenyl)methyl]-3-methoxy-N-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93291337

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 46045906) is N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide is CC(C)NC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is MCWJEMYKHWHOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15(2)24-21(26)13-16-6-10-20(11-7-16)25(22(27)18-8-9-18)14-17-4-3-5-19(23)12-17/h3-7,10-12,15,18H,8-9,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46045906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).