3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide

C20H22Br2N2O2 — CID 40864687

IUPAC3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H22Br2N2O2/c1-13-5-3-4-10-24(13)16-8-6-15(7-9-16)23-20(25)17-11-14(21)12-18(22)19(17)26-2/h6-9,11-13H,3-5,10H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyZCILSUAXLUPQHP-CYBMUJFWSA-N
MW482.22 g/mol
LogP5.85
Rot. Bonds4

About 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide

3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide (PubChem CID 40864687) has the molecular formula C20H22Br2N2O2 and a molecular weight of 482.22 g/mol. Its IUPAC name is 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide
PubChem CID40864687
Molecular FormulaC20H22Br2N2O2
Molecular Weight482.22 g/mol
Exact Mass480.00
IUPAC Name3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H22Br2N2O2/c1-13-5-3-4-10-24(13)16-8-6-15(7-9-16)23-20(25)17-11-14(21)12-18(22)19(17)26-2/h6-9,11-13H,3-5,10H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyZCILSUAXLUPQHP-CYBMUJFWSA-N
XLogP5.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.22
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]prop-2-enamide
CID 40864691
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 21216580
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3967891
5-bromo-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 40862470
3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 17102832
N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 40922123
2-methyl-N-[4-(2-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 17102844
4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 2996023
propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
CID 17050274
3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
CID 26019445

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide?
The IUPAC name of 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide (CID 40864687) is 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide?
The canonical SMILES for 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1.
What is the InChIKey of 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide?
The InChIKey is ZCILSUAXLUPQHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22Br2N2O2/c1-13-5-3-4-10-24(13)16-8-6-15(7-9-16)23-20(25)17-11-14(21)12-18(22)19(17)26-2/h6-9,11-13H,3-5,10H2,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide?
3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide has a molecular weight of 482.22 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 40864687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).