(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide

C19H18ClN3O2 — CID 28636872

IUPAC(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-14(25-18-4-2-3-16(20)11-18)19(24)22-12-15-5-7-17(8-6-15)23-10-9-21-13-23/h2-11,13-14H,12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyLOQWWHKYQFPLMP-AWEZNQCLSA-N
MW355.83 g/mol
LogP3.61
Rot. Bonds6

About (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide (PubChem CID 28636872) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
PubChem CID28636872
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-14(25-18-4-2-3-16(20)11-18)19(24)22-12-15-5-7-17(8-6-15)23-10-9-21-13-23/h2-11,13-14H,12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyLOQWWHKYQFPLMP-AWEZNQCLSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 28574947
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100546752
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
(2S)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675494
(2R)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675493
2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551881
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28575022
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46632597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide (CID 28636872) is (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide?
The InChIKey is LOQWWHKYQFPLMP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-14(25-18-4-2-3-16(20)11-18)19(24)22-12-15-5-7-17(8-6-15)23-10-9-21-13-23/h2-11,13-14H,12H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide has a molecular weight of 355.83 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 28636872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).