3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide

C20H19Cl2N3O2 — CID 56583336

IUPAC3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide
SMILESCc1nccn1Cc1ccc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H19Cl2N3O2/c1-14-23-9-10-25(14)13-15-2-4-16(5-3-15)24-20(26)8-11-27-17-6-7-18(21)19(22)12-17/h2-7,9-10,12H,8,11,13H2,1H3,(H,24,26)
InChIKeyUQIDCGQPQTVYBZ-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.95
Rot. Bonds7

About 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide

3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide (PubChem CID 56583336) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide
PubChem CID56583336
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide
SMILESCc1nccn1Cc1ccc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H19Cl2N3O2/c1-14-23-9-10-25(14)13-15-2-4-16(5-3-15)24-20(26)8-11-27-17-6-7-18(21)19(22)12-17/h2-7,9-10,12H,8,11,13H2,1H3,(H,24,26)
InChIKeyUQIDCGQPQTVYBZ-UHFFFAOYSA-N
XLogP4.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
CID 75396526
2-(3,4-dichlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55859224
3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide
CID 55881604
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43924902
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922204
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 56506117
2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 56578005
N-(4-cyclopentyloxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46775326
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 38700799

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide (CID 56583336) is 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide is Cc1nccn1Cc1ccc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide?
The InChIKey is UQIDCGQPQTVYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-14-23-9-10-25(14)13-15-2-4-16(5-3-15)24-20(26)8-11-27-17-6-7-18(21)19(22)12-17/h2-7,9-10,12H,8,11,13H2,1H3,(H,24,26).
What are the key properties of 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide?
3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide has a molecular weight of 404.30 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 56583336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).