(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

C20H20ClN3O2 — CID 92650949

IUPAC(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-14(26-19-9-5-17(21)6-10-19)20(25)23-13-16-3-7-18(8-4-16)24-12-11-22-15(24)2/h3-12,14H,13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyPSCJTGSOHBUXSY-CQSZACIVSA-N
MW369.85 g/mol
LogP3.92
Rot. Bonds6

About (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (PubChem CID 92650949) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
PubChem CID92650949
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-14(26-19-9-5-17(21)6-10-19)20(25)23-13-16-3-7-18(8-4-16)24-12-11-22-15(24)2/h3-12,14H,13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyPSCJTGSOHBUXSY-CQSZACIVSA-N
XLogP3.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92676020
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]butanamide
CID 92650798
(2S)-2-(4-chlorophenoxy)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100645893
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28636872

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (CID 92650949) is (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The InChIKey is PSCJTGSOHBUXSY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14(26-19-9-5-17(21)6-10-19)20(25)23-13-16-3-7-18(8-4-16)24-12-11-22-15(24)2/h3-12,14H,13H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide has a molecular weight of 369.85 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 92650949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).