N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide

C19H21FN2O — CID 167926200

IUPACN-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)ccc2N2CCC(C)C2)c1
InChIInChI=1S/C19H21FN2O/c1-13-4-3-5-15(10-13)19(23)21-17-11-16(20)6-7-18(17)22-9-8-14(2)12-22/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,21,23)
InChIKeyQTBVIFARXLRLSV-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.23
Rot. Bonds3

About N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide

N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide (PubChem CID 167926200) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide
PubChem CID167926200
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)ccc2N2CCC(C)C2)c1
InChIInChI=1S/C19H21FN2O/c1-13-4-3-5-15(10-13)19(23)21-17-11-16(20)6-7-18(17)22-9-8-14(2)12-22/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,21,23)
InChIKeyQTBVIFARXLRLSV-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
3-[(4-fluorobenzoyl)amino]-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 95064015
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95063995
N-[3-[(3-fluorophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326390
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
N-[3-[(3-fluorophenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326527
2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168523364
N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide
CID 99969105
2-[5-fluoro-2-(3-methylpiperidin-1-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607037

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide (CID 167926200) is N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(F)ccc2N2CCC(C)C2)c1.
What is the InChIKey of N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide?
The InChIKey is QTBVIFARXLRLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13-4-3-5-15(10-13)19(23)21-17-11-16(20)6-7-18(17)22-9-8-14(2)12-22/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,21,23).
What are the key properties of N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide?
N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 167926200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).