1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide

C19H20BrClN2O — CID 43919379

IUPAC1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H20BrClN2O/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19(24)22-18-9-2-1-8-17(18)21/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,22,24)
InChIKeyMDUNYCKDWWTUAK-UHFFFAOYSA-N
MW407.74 g/mol
LogP4.95
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide

1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide (PubChem CID 43919379) has the molecular formula C19H20BrClN2O and a molecular weight of 407.74 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
PubChem CID43919379
Molecular FormulaC19H20BrClN2O
Molecular Weight407.74 g/mol
Exact Mass406.04
IUPAC Name1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H20BrClN2O/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19(24)22-18-9-2-1-8-17(18)21/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,22,24)
InChIKeyMDUNYCKDWWTUAK-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921642
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
CID 43924958
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
1-[(3-bromophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923607
1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 43925035
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920046
1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 43925877

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide (CID 43919379) is 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Cl)C1CCCN(Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide?
The InChIKey is MDUNYCKDWWTUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19(24)22-18-9-2-1-8-17(18)21/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,22,24).
What are the key properties of 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide?
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide has a molecular weight of 407.74 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).