2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide

C17H14BrF2N5O2 — CID 43024295

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H14BrF2N5O2/c1-10(16(26)21-13-6-8-14(9-7-13)27-17(19)20)25-23-15(22-24-25)11-2-4-12(18)5-3-11/h2-10,17H,1H3,(H,21,26)
InChIKeyNAPDIVFMVXNWAF-UHFFFAOYSA-N
MW438.23 g/mol
LogP3.90
Rot. Bonds6

About 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 43024295) has the molecular formula C17H14BrF2N5O2 and a molecular weight of 438.23 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID43024295
Molecular FormulaC17H14BrF2N5O2
Molecular Weight438.23 g/mol
Exact Mass437.03
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H14BrF2N5O2/c1-10(16(26)21-13-6-8-14(9-7-13)27-17(19)20)25-23-15(22-24-25)11-2-4-12(18)5-3-11/h2-10,17H,1H3,(H,21,26)
InChIKeyNAPDIVFMVXNWAF-UHFFFAOYSA-N
XLogP3.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
CID 9355609
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
(2S)-N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353587
(2R)-N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353588
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 46624217
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46647379
(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide
CID 40811476
N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430423
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(3,4-dimethoxyphenyl)propan-1-one
CID 60603269
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 1149424

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide (CID 43024295) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccc(OC(F)F)cc1)n1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is NAPDIVFMVXNWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2N5O2/c1-10(16(26)21-13-6-8-14(9-7-13)27-17(19)20)25-23-15(22-24-25)11-2-4-12(18)5-3-11/h2-10,17H,1H3,(H,21,26).
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide?
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 438.23 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 43024295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).