4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide

C22H21ClN2O3 — CID 55958016

IUPAC4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccn2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O3/c1-25(14-19-5-3-4-12-24-19)22(26)17-8-11-20(21(13-17)27-2)28-15-16-6-9-18(23)10-7-16/h3-13H,14-15H2,1-2H3
InChIKeyIYZWBZICAAAANN-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.59
Rot. Bonds7

About 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 55958016) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID55958016
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccn2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O3/c1-25(14-19-5-3-4-12-24-19)22(26)17-8-11-20(21(13-17)27-2)28-15-16-6-9-18(23)10-7-16/h3-13H,14-15H2,1-2H3
InChIKeyIYZWBZICAAAANN-UHFFFAOYSA-N
XLogP4.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78886268
N-(4-chlorophenyl)-5-[(2-methoxyphenoxy)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 55890626
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N,N-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine;3-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 159141021
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 55958016) is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide is COc1cc(C(=O)N(C)Cc2ccccn2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is IYZWBZICAAAANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-25(14-19-5-3-4-12-24-19)22(26)17-8-11-20(21(13-17)27-2)28-15-16-6-9-18(23)10-7-16/h3-13H,14-15H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 396.87 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 55958016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).