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

C20H20N4O2 — CID 40633096

IUPAC3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-14(16-6-8-19(9-7-16)24-11-10-21-13-24)22-20(26)17-4-3-5-18(12-17)23-15(2)25/h3-14H,1-2H3,(H,22,26)(H,23,25)/t14-/m1/s1
InChIKeyNMYADGMFLHDXLH-CQSZACIVSA-N
MW348.41 g/mol
LogP3.32
Rot. Bonds5

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

3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide (PubChem CID 40633096) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
PubChem CID40633096
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-14(16-6-8-19(9-7-16)24-11-10-21-13-24)22-20(26)17-4-3-5-18(12-17)23-15(2)25/h3-14H,1-2H3,(H,22,26)(H,23,25)/t14-/m1/s1
InChIKeyNMYADGMFLHDXLH-CQSZACIVSA-N
XLogP3.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55728026
3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
2-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 155944963
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide (CID 40633096) is 3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide is CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of 3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is NMYADGMFLHDXLH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(16-6-8-19(9-7-16)24-11-10-21-13-24)22-20(26)17-4-3-5-18(12-17)23-15(2)25/h3-14H,1-2H3,(H,22,26)(H,23,25)/t14-/m1/s1.
What are the key properties of 3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 40633096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).