3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide

C22H21ClN2O3 — CID 86978352

IUPAC3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NC(c2ccccc2)c2ccncc2)cc1OC
InChIInChI=1S/C22H21ClN2O3/c1-3-28-21-18(23)13-17(14-19(21)27-2)22(26)25-20(15-7-5-4-6-8-15)16-9-11-24-12-10-16/h4-14,20H,3H2,1-2H3,(H,25,26)
InChIKeyXGDBWZUTVYMNFP-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.66
Rot. Bonds7

About 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide

3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide (PubChem CID 86978352) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
PubChem CID86978352
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NC(c2ccccc2)c2ccncc2)cc1OC
InChIInChI=1S/C22H21ClN2O3/c1-3-28-21-18(23)13-17(14-19(21)27-2)22(26)25-20(15-7-5-4-6-8-15)16-9-11-24-12-10-16/h4-14,20H,3H2,1-2H3,(H,25,26)
InChIKeyXGDBWZUTVYMNFP-UHFFFAOYSA-N
XLogP4.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 43007006
3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 43010464
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461561
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
N-[3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55891488
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide (CID 86978352) is 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide is CCOc1c(Cl)cc(C(=O)NC(c2ccccc2)c2ccncc2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide?
The InChIKey is XGDBWZUTVYMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-3-28-21-18(23)13-17(14-19(21)27-2)22(26)25-20(15-7-5-4-6-8-15)16-9-11-24-12-10-16/h4-14,20H,3H2,1-2H3,(H,25,26).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide?
3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide has a molecular weight of 396.87 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide is sourced from PubChem (CID 86978352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).