N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide

C14H16F3NO3 — CID 95986148

IUPACN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H16F3NO3/c1-13(20,10-4-5-10)8-18-12(19)9-2-6-11(7-3-9)21-14(15,16)17/h2-3,6-7,10,20H,4-5,8H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyBFBSQCWCQSMQKA-CYBMUJFWSA-N
MW303.28 g/mol
LogP2.48
Rot. Bonds5

About N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide

N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide (PubChem CID 95986148) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
PubChem CID95986148
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H16F3NO3/c1-13(20,10-4-5-10)8-18-12(19)9-2-6-11(7-3-9)21-14(15,16)17/h2-3,6-7,10,20H,4-5,8H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyBFBSQCWCQSMQKA-CYBMUJFWSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
CID 90499285
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90499413
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 24800782
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
N-(1-bromo-2-methylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116629348
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
CID 90499308
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide (CID 95986148) is N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide is C[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is BFBSQCWCQSMQKA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-13(20,10-4-5-10)8-18-12(19)9-2-6-11(7-3-9)21-14(15,16)17/h2-3,6-7,10,20H,4-5,8H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide?
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 303.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 95986148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).