N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide

C15H21FN2O — CID 166772617

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
SMILESCC(NC(=O)C[C@@H]1CCCN1C)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(12-5-7-13(16)8-6-12)17-15(19)10-14-4-3-9-18(14)2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)/t11?,14-/m0/s1
InChIKeyLDRJYQXQIHJBOT-IAXJKZSUSA-N
MW264.34 g/mol
LogP2.49
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide

N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide (PubChem CID 166772617) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
PubChem CID166772617
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
SMILESCC(NC(=O)C[C@@H]1CCCN1C)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(12-5-7-13(16)8-6-12)17-15(19)10-14-4-3-9-18(14)2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)/t11?,14-/m0/s1
InChIKeyLDRJYQXQIHJBOT-IAXJKZSUSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072221
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95278566
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86825537
2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60647303
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
(3S)-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 125147582
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
3-(cyclopropylamino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248085
N-[4-[1-[[2-(cyclopropylmethylamino)acetyl]amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119744056

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide (CID 166772617) is N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide is CC(NC(=O)C[C@@H]1CCCN1C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The InChIKey is LDRJYQXQIHJBOT-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(12-5-7-13(16)8-6-12)17-15(19)10-14-4-3-9-18(14)2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)/t11?,14-/m0/s1.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide has a molecular weight of 264.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166772617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).