N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C19H27FN2O2 — CID 70777047

IUPACN-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@H]1C(C)C
InChIInChI=1S/C19H27FN2O2/c1-13(2)17-11-22(12-18(17)21-14(3)23)19(24)6-4-5-15-7-9-16(20)10-8-15/h7-10,13,17-18H,4-6,11-12H2,1-3H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyMQOUAEKLWRIOCX-ZWKOTPCHSA-N
MW334.44 g/mol
LogP2.77
Rot. Bonds6

About N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 70777047) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID70777047
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@H]1C(C)C
InChIInChI=1S/C19H27FN2O2/c1-13(2)17-11-22(12-18(17)21-14(3)23)19(24)6-4-5-15-7-9-16(20)10-8-15/h7-10,13,17-18H,4-6,11-12H2,1-3H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyMQOUAEKLWRIOCX-ZWKOTPCHSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70745092
N-[4-(hydroxymethyl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]acetamide
CID 171142649
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-4-(4-fluorophenyl)butan-1-one
CID 118791784
1,1-dimethyl-3-[4-propan-2-yl-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]urea
CID 156607108
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 124589038
1-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-(4-fluorophenyl)propan-1-one
CID 56863969
N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70750967
4-(4-fluorophenyl)-1-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]butan-1-one
CID 96579977
N-[(3S)-1-[5-(4-fluorophenyl)-2-oxopentyl]-2-oxopyrrolidin-3-yl]acetamide
CID 58241302
2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid
CID 64604563
1,1-dimethyl-3-[4-propan-2-yl-1-(3-pyridin-3-ylpropanoyl)pyrrolidin-3-yl]urea
CID 156606497

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 70777047) is N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@H]1C(C)C.
What is the InChIKey of N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is MQOUAEKLWRIOCX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-13(2)17-11-22(12-18(17)21-14(3)23)19(24)6-4-5-15-7-9-16(20)10-8-15/h7-10,13,17-18H,4-6,11-12H2,1-3H3,(H,21,23)/t17-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70777047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).