N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide

C20H23ClN2O3 — CID 17274353

IUPACN-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c(OC)c1
InChIInChI=1S/C20H23ClN2O3/c1-25-14-9-10-15(18(13-14)26-2)20(24)22-17-8-6-7-16(21)19(17)23-11-4-3-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeyKMBVRIYUMLROTJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.60
Rot. Bonds5

About N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide

N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide (PubChem CID 17274353) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide
PubChem CID17274353
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c(OC)c1
InChIInChI=1S/C20H23ClN2O3/c1-25-14-9-10-15(18(13-14)26-2)20(24)22-17-8-6-7-16(21)19(17)23-11-4-3-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeyKMBVRIYUMLROTJ-UHFFFAOYSA-N
XLogP4.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 6457289
5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 3967423
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-methoxynaphthalene-2-carboxamide
CID 17177063
ethyl 4-[2-chloro-6-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 5312100
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17066196
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17066211
N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17092370
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide (CID 17274353) is N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c(OC)c1.
What is the InChIKey of N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide?
The InChIKey is KMBVRIYUMLROTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-14-9-10-15(18(13-14)26-2)20(24)22-17-8-6-7-16(21)19(17)23-11-4-3-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide?
N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide has a molecular weight of 374.87 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 17274353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).