N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide

C14H17F3N2O — CID 89362918

IUPACN-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(N(Cc1ccccc1)C[C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)13(20)19(10-12-7-4-8-18-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2/t12-/m0/s1
InChIKeyKNHZMCVDXZWURK-LBPRGKRZSA-N
MW286.30 g/mol
LogP2.33
Rot. Bonds4

About N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide

N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide (PubChem CID 89362918) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
PubChem CID89362918
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(N(Cc1ccccc1)C[C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)13(20)19(10-12-7-4-8-18-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2/t12-/m0/s1
InChIKeyKNHZMCVDXZWURK-LBPRGKRZSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608735
benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate
CID 97168559
N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783040
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
CID 61366041
N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 21097393
N-[(3-methoxyphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 69415368
N-phenylsulfanyl-1-pyrrolidin-2-ylmethanamine;2,2,2-trifluoroacetic acid
CID 143059763

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide (CID 89362918) is N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide is O=C(N(Cc1ccccc1)C[C@@H]1CCCN1)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is KNHZMCVDXZWURK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)13(20)19(10-12-7-4-8-18-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2/t12-/m0/s1.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 286.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 89362918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).