N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide

C16H13BrFN5O — CID 52724876

IUPACN-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@@H](c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN5O/c17-12-6-7-13(14(18)8-12)16(11-4-2-1-3-5-11)20-15(24)9-23-10-19-21-22-23/h1-8,10,16H,9H2,(H,20,24)/t16-/m0/s1
InChIKeyQERJCECYELCCGF-INIZCTEOSA-N
MW390.22 g/mol
LogP2.48
Rot. Bonds5

About N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide

N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 52724876) has the molecular formula C16H13BrFN5O and a molecular weight of 390.22 g/mol. Its IUPAC name is N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID52724876
Molecular FormulaC16H13BrFN5O
Molecular Weight390.22 g/mol
Exact Mass389.03
IUPAC NameN-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@@H](c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN5O/c17-12-6-7-13(14(18)8-12)16(11-4-2-1-3-5-11)20-15(24)9-23-10-19-21-22-23/h1-8,10,16H,9H2,(H,20,24)/t16-/m0/s1
InChIKeyQERJCECYELCCGF-INIZCTEOSA-N
XLogP2.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
CID 120560847
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55990247
2-(tetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]acetamide
CID 95639107
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119738549
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119218600
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-3-(phenylcarbamoylamino)propanamide
CID 55990369
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide
CID 55990114
N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 60523190
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide
CID 60548183
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-nitrophenoxy)acetamide
CID 55857646
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide
CID 55857773

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide (CID 52724876) is N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N[C@@H](c1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is QERJCECYELCCGF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13BrFN5O/c17-12-6-7-13(14(18)8-12)16(11-4-2-1-3-5-11)20-15(24)9-23-10-19-21-22-23/h1-8,10,16H,9H2,(H,20,24)/t16-/m0/s1.
What are the key properties of N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide?
N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 390.22 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 52724876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).