(2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide

C23H18ClN5O2 — CID 51881184

IUPAC(2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)n2nnc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C23H18ClN5O2/c1-15(30)18-8-5-9-20(14-18)25-23(31)21(16-6-3-2-4-7-16)29-27-22(26-28-29)17-10-12-19(24)13-11-17/h2-14,21H,1H3,(H,25,31)/t21-/m1/s1
InChIKeyGVKHWGKOTMAZCO-OAQYLSRUSA-N
MW431.88 g/mol
LogP4.42
Rot. Bonds6

About (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide

(2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide (PubChem CID 51881184) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide
PubChem CID51881184
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name(2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)n2nnc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C23H18ClN5O2/c1-15(30)18-8-5-9-20(14-18)25-23(31)21(16-6-3-2-4-7-16)29-27-22(26-28-29)17-10-12-19(24)13-11-17/h2-14,21H,1H3,(H,25,31)/t21-/m1/s1
InChIKeyGVKHWGKOTMAZCO-OAQYLSRUSA-N
XLogP4.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
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1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
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N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
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N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
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2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
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2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
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CID 95781242
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide
CID 41133349
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide (CID 51881184) is (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide is CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)n2nnc(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide?
The InChIKey is GVKHWGKOTMAZCO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-15(30)18-8-5-9-20(14-18)25-23(31)21(16-6-3-2-4-7-16)29-27-22(26-28-29)17-10-12-19(24)13-11-17/h2-14,21H,1H3,(H,25,31)/t21-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide?
(2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide has a molecular weight of 431.88 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 51881184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).