2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride

C20H23ClFN3O2 — CID 119429147

IUPAC2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC2CCCNC2)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C20H22FN3O2.ClH/c1-13-6-4-9-16(20(26)23-14-7-5-11-22-12-14)18(13)24-19(25)15-8-2-3-10-17(15)21;/h2-4,6,8-10,14,22H,5,7,11-12H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyFTHVRLGZCHDYKG-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.29
Rot. Bonds4

About 2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride

2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119429147) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119429147
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC2CCCNC2)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C20H22FN3O2.ClH/c1-13-6-4-9-16(20(26)23-14-7-5-11-22-12-14)18(13)24-19(25)15-8-2-3-10-17(15)21;/h2-4,6,8-10,14,22H,5,7,11-12H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyFTHVRLGZCHDYKG-UHFFFAOYSA-N
XLogP3.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119538084
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide
CID 97319528
N-[2-(1,4-diazepane-1-carbonyl)-6-methylphenyl]-2-fluorobenzamide;hydrochloride
CID 119418666
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119605190
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide
CID 86964134
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
1-(2,6-difluorophenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 165430557
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride (CID 119429147) is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride is Cc1cccc(C(=O)NC2CCCNC2)c1NC(=O)c1ccccc1F.Cl.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is FTHVRLGZCHDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.ClH/c1-13-6-4-9-16(20(26)23-14-7-5-11-22-12-14)18(13)24-19(25)15-8-2-3-10-17(15)21;/h2-4,6,8-10,14,22H,5,7,11-12H2,1H3,(H,23,26)(H,24,25);1H.
What are the key properties of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride?
2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 391.87 g/mol, XLogP of 3.29, 4 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-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119429147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).