3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide

C20H21Cl3N2O3 — CID 46398915

IUPAC3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)cc1Cl
InChIInChI=1S/C20H21Cl3N2O3/c1-27-19-16(22)10-13(11-17(19)23)20(26)24-12-18(25-6-8-28-9-7-25)14-4-2-3-5-15(14)21/h2-5,10-11,18H,6-9,12H2,1H3,(H,24,26)
InChIKeyLPDYYMWOFIWTDX-UHFFFAOYSA-N
MW443.76 g/mol
LogP4.46
Rot. Bonds6

About 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide

3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide (PubChem CID 46398915) has the molecular formula C20H21Cl3N2O3 and a molecular weight of 443.76 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
PubChem CID46398915
Molecular FormulaC20H21Cl3N2O3
Molecular Weight443.76 g/mol
Exact Mass442.06
IUPAC Name3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)cc1Cl
InChIInChI=1S/C20H21Cl3N2O3/c1-27-19-16(22)10-13(11-17(19)23)20(26)24-12-18(25-6-8-28-9-7-25)14-4-2-3-5-15(14)21/h2-5,10-11,18H,6-9,12H2,1H3,(H,24,26)
InChIKeyLPDYYMWOFIWTDX-UHFFFAOYSA-N
XLogP4.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
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
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
CID 35041682
2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
CID 55609908
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide
CID 35041715
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 35041734
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide (CID 46398915) is 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide?
The InChIKey is LPDYYMWOFIWTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N2O3/c1-27-19-16(22)10-13(11-17(19)23)20(26)24-12-18(25-6-8-28-9-7-25)14-4-2-3-5-15(14)21/h2-5,10-11,18H,6-9,12H2,1H3,(H,24,26).
What are the key properties of 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide?
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide has a molecular weight of 443.76 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide is sourced from PubChem (CID 46398915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).