3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide

C18H16ClN3O2 — CID 31206996

IUPAC3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12(21-18(24)14-4-7-17(23)16(19)10-14)13-2-5-15(6-3-13)22-9-8-20-11-22/h2-12,23H,1H3,(H,21,24)/t12-/m1/s1
InChIKeyAOYARPBXZBSTNA-GFCCVEGCSA-N
MW341.80 g/mol
LogP3.72
Rot. Bonds4

About 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide

3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide (PubChem CID 31206996) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
PubChem CID31206996
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12(21-18(24)14-4-7-17(23)16(19)10-14)13-2-5-15(6-3-13)22-9-8-20-11-22/h2-12,23H,1H3,(H,21,24)/t12-/m1/s1
InChIKeyAOYARPBXZBSTNA-GFCCVEGCSA-N
XLogP3.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40633096
2-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 155944963
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 43297503
3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48692579
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide (CID 31206996) is 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is AOYARPBXZBSTNA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12(21-18(24)14-4-7-17(23)16(19)10-14)13-2-5-15(6-3-13)22-9-8-20-11-22/h2-12,23H,1H3,(H,21,24)/t12-/m1/s1.
What are the key properties of 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 341.80 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 31206996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).