2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C21H25ClFN3O2 — CID 119538084

IUPAC2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)NCCC2CCNC2)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C21H24FN3O2.ClH/c1-14-5-4-7-17(20(26)24-12-10-15-9-11-23-13-15)19(14)25-21(27)16-6-2-3-8-18(16)22;/h2-8,15,23H,9-13H2,1H3,(H,24,26)(H,25,27);1H
InChIKeyUFSJXUVAYKEHQX-UHFFFAOYSA-N
MW405.90 g/mol
LogP3.54
Rot. Bonds6

About 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119538084) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119538084
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)NCCC2CCNC2)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C21H24FN3O2.ClH/c1-14-5-4-7-17(20(26)24-12-10-15-9-11-23-13-15)19(14)25-21(27)16-6-2-3-8-18(16)22;/h2-8,15,23H,9-13H2,1H3,(H,24,26)(H,25,27);1H
InChIKeyUFSJXUVAYKEHQX-UHFFFAOYSA-N
XLogP3.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429147
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119556509
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119538084) is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cc1cccc(C(=O)NCCC2CCNC2)c1NC(=O)c1ccccc1F.Cl.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is UFSJXUVAYKEHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2.ClH/c1-14-5-4-7-17(20(26)24-12-10-15-9-11-23-13-15)19(14)25-21(27)16-6-2-3-8-18(16)22;/h2-8,15,23H,9-13H2,1H3,(H,24,26)(H,25,27);1H.
What are the key properties of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 405.90 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119538084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).