4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide

C19H19BrFN3O2 — CID 46537368

IUPAC4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(Br)ccc1F
InChIInChI=1S/C19H19BrFN3O2/c20-13-6-7-17(21)16(12-13)18(25)22-15-8-10-24(11-9-15)19(26)23-14-4-2-1-3-5-14/h1-7,12,15H,8-11H2,(H,22,25)(H,23,26)
InChIKeyAEBLGCBEPGSTGC-UHFFFAOYSA-N
MW420.28 g/mol
LogP4.01
Rot. Bonds3

About 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide

4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 46537368) has the molecular formula C19H19BrFN3O2 and a molecular weight of 420.28 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
PubChem CID46537368
Molecular FormulaC19H19BrFN3O2
Molecular Weight420.28 g/mol
Exact Mass419.06
IUPAC Name4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(Br)ccc1F
InChIInChI=1S/C19H19BrFN3O2/c20-13-6-7-17(21)16(12-13)18(25)22-15-8-10-24(11-9-15)19(26)23-14-4-2-1-3-5-14/h1-7,12,15H,8-11H2,(H,22,25)(H,23,26)
InChIKeyAEBLGCBEPGSTGC-UHFFFAOYSA-N
XLogP4.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46530497
4-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 43814081
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide
CID 51324355
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide (CID 46537368) is 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(Br)ccc1F.
What is the InChIKey of 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is AEBLGCBEPGSTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O2/c20-13-6-7-17(21)16(12-13)18(25)22-15-8-10-24(11-9-15)19(26)23-14-4-2-1-3-5-14/h1-7,12,15H,8-11H2,(H,22,25)(H,23,26).
What are the key properties of 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 420.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46537368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).