N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide

C16H20F3NO2 — CID 124889748

IUPACN-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCCC[C@H]1C[C@@H]1NC(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-2-3-12-10-14(12)20-15(21)9-6-11-4-7-13(8-5-11)22-16(17,18)19/h4-5,7-8,12,14H,2-3,6,9-10H2,1H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyYGEJMWQYOBRISW-JSGCOSHPSA-N
MW315.33 g/mol
LogP3.82
Rot. Bonds7

About N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide

N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 124889748) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID124889748
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC NameN-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCCC[C@H]1C[C@@H]1NC(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-2-3-12-10-14(12)20-15(21)9-6-11-4-7-13(8-5-11)22-16(17,18)19/h4-5,7-8,12,14H,2-3,6,9-10H2,1H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyYGEJMWQYOBRISW-JSGCOSHPSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119611618
2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid
CID 119192267
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide
CID 47043798
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 119647269
2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643070
2-[4-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pyrazol-1-yl]acetic acid
CID 167748434
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
N-propyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528830
3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104957177
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529030

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide (CID 124889748) is N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide is CCC[C@H]1C[C@@H]1NC(=O)CCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is YGEJMWQYOBRISW-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-2-3-12-10-14(12)20-15(21)9-6-11-4-7-13(8-5-11)22-16(17,18)19/h4-5,7-8,12,14H,2-3,6,9-10H2,1H3,(H,20,21)/t12-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 315.33 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 124889748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).