2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide

C23H27Cl2N3O3 — CID 55740277

IUPAC2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C(CNC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)N2CCCC2)cc1
InChIInChI=1S/C23H27Cl2N3O3/c1-15(27-23(30)18-6-5-7-19(24)21(18)25)22(29)26-14-20(28-12-3-4-13-28)16-8-10-17(31-2)11-9-16/h5-11,15,20H,3-4,12-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyCKTOTDHRXFGWMN-UHFFFAOYSA-N
MW464.39 g/mol
LogP4.07
Rot. Bonds8

About 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 55740277) has the molecular formula C23H27Cl2N3O3 and a molecular weight of 464.39 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID55740277
Molecular FormulaC23H27Cl2N3O3
Molecular Weight464.39 g/mol
Exact Mass463.14
IUPAC Name2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C(CNC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)N2CCCC2)cc1
InChIInChI=1S/C23H27Cl2N3O3/c1-15(27-23(30)18-6-5-7-19(24)21(18)25)22(29)26-14-20(28-12-3-4-13-28)16-8-10-17(31-2)11-9-16/h5-11,15,20H,3-4,12-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyCKTOTDHRXFGWMN-UHFFFAOYSA-N
XLogP4.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 112789965
N-[1-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47016694
(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 35345326
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
4-tert-butyl-N-[1-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 112767398
(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31140460
N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 112789946
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide (CID 55740277) is 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide is COc1ccc(C(CNC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)N2CCCC2)cc1.
What is the InChIKey of 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is CKTOTDHRXFGWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O3/c1-15(27-23(30)18-6-5-7-19(24)21(18)25)22(29)26-14-20(28-12-3-4-13-28)16-8-10-17(31-2)11-9-16/h5-11,15,20H,3-4,12-14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 464.39 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55740277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).