2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide

C20H22BrClN2O3 — CID 55609908

IUPAC2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C20H22BrClN2O3/c1-26-14-6-7-17(21)16(12-14)20(25)23-13-19(24-8-10-27-11-9-24)15-4-2-3-5-18(15)22/h2-7,12,19H,8-11,13H2,1H3,(H,23,25)
InChIKeyFOSRNIGDFNQKPB-UHFFFAOYSA-N
MW453.76 g/mol
LogP3.91
Rot. Bonds6

About 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide

2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide (PubChem CID 55609908) has the molecular formula C20H22BrClN2O3 and a molecular weight of 453.76 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
PubChem CID55609908
Molecular FormulaC20H22BrClN2O3
Molecular Weight453.76 g/mol
Exact Mass452.05
IUPAC Name2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C20H22BrClN2O3/c1-26-14-6-7-17(21)16(12-14)20(25)23-13-19(24-8-10-27-11-9-24)15-4-2-3-5-18(15)22/h2-7,12,19H,8-11,13H2,1H3,(H,23,25)
InChIKeyFOSRNIGDFNQKPB-UHFFFAOYSA-N
XLogP3.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.76
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
CID 43007289
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
CID 35041682
3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 35041734
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120642320
5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 39588961

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide (CID 55609908) is 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)c1.
What is the InChIKey of 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide?
The InChIKey is FOSRNIGDFNQKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN2O3/c1-26-14-6-7-17(21)16(12-14)20(25)23-13-19(24-8-10-27-11-9-24)15-4-2-3-5-18(15)22/h2-7,12,19H,8-11,13H2,1H3,(H,23,25).
What are the key properties of 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide?
2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide has a molecular weight of 453.76 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide is sourced from PubChem (CID 55609908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).