2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C20H20ClN3O3 — CID 40795395

IUPAC2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1cccc([C@H](NC(=O)COc2ccccc2Cl)c2nccn2C)c1
InChIInChI=1S/C20H20ClN3O3/c1-24-11-10-22-20(24)19(14-6-5-7-15(12-14)26-2)23-18(25)13-27-17-9-4-3-8-16(17)21/h3-12,19H,13H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyFAPCIQOCFPAUHI-IBGZPJMESA-N
MW385.85 g/mol
LogP3.37
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 40795395) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID40795395
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1cccc([C@H](NC(=O)COc2ccccc2Cl)c2nccn2C)c1
InChIInChI=1S/C20H20ClN3O3/c1-24-11-10-22-20(24)19(14-6-5-7-15(12-14)26-2)23-18(25)13-27-17-9-4-3-8-16(17)21/h3-12,19H,13H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyFAPCIQOCFPAUHI-IBGZPJMESA-N
XLogP3.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 51273501
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
2-(2-chloro-6-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40797865
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17465533
2-(2-chloro-5-methylphenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25325555
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
3-methoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772809
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-naphthalen-1-yloxyacetamide
CID 17446536
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 25351466
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 40952513

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 40795395) is 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is COc1cccc([C@H](NC(=O)COc2ccccc2Cl)c2nccn2C)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is FAPCIQOCFPAUHI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-24-11-10-22-20(24)19(14-6-5-7-15(12-14)26-2)23-18(25)13-27-17-9-4-3-8-16(17)21/h3-12,19H,13H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 40795395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).