N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

C17H24FN3O — CID 75442945

IUPACN-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(F)cc(NC(=O)N2CCC(CN3CCCC3)C2)c1
InChIInChI=1S/C17H24FN3O/c1-13-8-15(18)10-16(9-13)19-17(22)21-7-4-14(12-21)11-20-5-2-3-6-20/h8-10,14H,2-7,11-12H2,1H3,(H,19,22)
InChIKeyRFMPUPXTWMSDBD-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.08
Rot. Bonds3

About N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 75442945) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID75442945
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC NameN-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(F)cc(NC(=O)N2CCC(CN3CCCC3)C2)c1
InChIInChI=1S/C17H24FN3O/c1-13-8-15(18)10-16(9-13)19-17(22)21-7-4-14(12-21)11-20-5-2-3-6-20/h8-10,14H,2-7,11-12H2,1H3,(H,19,22)
InChIKeyRFMPUPXTWMSDBD-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
(3R)-N-(1-methylindol-6-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99820655
N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146129975
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148
N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136534290
(3S)-N-(3,5-difluorophenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 164638725
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 75442945) is N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is Cc1cc(F)cc(NC(=O)N2CCC(CN3CCCC3)C2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is RFMPUPXTWMSDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-13-8-15(18)10-16(9-13)19-17(22)21-7-4-14(12-21)11-20-5-2-3-6-20/h8-10,14H,2-7,11-12H2,1H3,(H,19,22).
What are the key properties of N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75442945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).