4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide

C22H21ClN2O3 — CID 25352738

IUPAC4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2ccncc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O3/c1-15(16-9-11-24-12-10-16)25-22(26)17-7-8-20(21(13-17)27-2)28-14-18-5-3-4-6-19(18)23/h3-13,15H,14H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyUSLOUNQGIMOOKT-HNNXBMFYSA-N
MW396.87 g/mol
LogP4.81
Rot. Bonds7

About 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide

4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide (PubChem CID 25352738) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
PubChem CID25352738
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2ccncc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O3/c1-15(16-9-11-24-12-10-16)25-22(26)17-7-8-20(21(13-17)27-2)28-14-18-5-3-4-6-19(18)23/h3-13,15H,14H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyUSLOUNQGIMOOKT-HNNXBMFYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 132763399
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
4-[(2-chlorophenyl)methoxy]-3-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 55363499
4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide
CID 55619649
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 18160634
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-[(3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 5245244
N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 132666759
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162172
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide (CID 25352738) is 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide is COc1cc(C(=O)N[C@@H](C)c2ccncc2)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is USLOUNQGIMOOKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-15(16-9-11-24-12-10-16)25-22(26)17-7-8-20(21(13-17)27-2)28-14-18-5-3-4-6-19(18)23/h3-13,15H,14H2,1-2H3,(H,25,26)/t15-/m0/s1.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 396.87 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 25352738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).