N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide

C19H20ClFN2O — CID 11325460

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2F)C2CCNC2)cc1Cl
InChIInChI=1S/C19H20ClFN2O/c1-13-6-7-14(10-17(13)20)12-23(15-8-9-22-11-15)19(24)16-4-2-3-5-18(16)21/h2-7,10,15,22H,8-9,11-12H2,1H3
InChIKeyMWOZLEWJSYZIFS-UHFFFAOYSA-N
MW346.83 g/mol
LogP3.79
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide

N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide (PubChem CID 11325460) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide
PubChem CID11325460
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2F)C2CCNC2)cc1Cl
InChIInChI=1S/C19H20ClFN2O/c1-13-6-7-14(10-17(13)20)12-23(15-8-9-22-11-15)19(24)16-4-2-3-5-18(16)21/h2-7,10,15,22H,8-9,11-12H2,1H3
InChIKeyMWOZLEWJSYZIFS-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11209793
N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106817825
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 72810882
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 11210227
2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide
CID 11450731
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide (CID 11325460) is N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide is Cc1ccc(CN(C(=O)c2ccccc2F)C2CCNC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide?
The InChIKey is MWOZLEWJSYZIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-13-6-7-14(10-17(13)20)12-23(15-8-9-22-11-15)19(24)16-4-2-3-5-18(16)21/h2-7,10,15,22H,8-9,11-12H2,1H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide?
N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide has a molecular weight of 346.83 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-fluoro-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 11325460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).