N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide

C18H17F2NO — CID 141220125

IUPACN-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@H](c1cccc(F)c1)C1CC1
InChIInChI=1S/C18H17F2NO/c19-15-5-1-3-12(9-15)10-17(22)21-18(13-7-8-13)14-4-2-6-16(20)11-14/h1-6,9,11,13,18H,7-8,10H2,(H,21,22)/t18-/m0/s1
InChIKeyLZFBDILGKGAIPU-SFHVURJKSA-N
MW301.34 g/mol
LogP3.77
Rot. Bonds5

About N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide

N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 141220125) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
PubChem CID141220125
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@H](c1cccc(F)c1)C1CC1
InChIInChI=1S/C18H17F2NO/c19-15-5-1-3-12(9-15)10-17(22)21-18(13-7-8-13)14-4-2-6-16(20)11-14/h1-6,9,11,13,18H,7-8,10H2,(H,21,22)/t18-/m0/s1
InChIKeyLZFBDILGKGAIPU-SFHVURJKSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86918867
N-[cyclopentyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119810349
N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
CID 63767831
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119810351
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593746
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2-(3-fluorophenyl)acetamide
CID 98136163
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide (CID 141220125) is N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)N[C@H](c1cccc(F)c1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is LZFBDILGKGAIPU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17F2NO/c19-15-5-1-3-12(9-15)10-17(22)21-18(13-7-8-13)14-4-2-6-16(20)11-14/h1-6,9,11,13,18H,7-8,10H2,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide?
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 301.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 141220125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).