1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide

C17H13BrFN5O — CID 55813866

IUPAC1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H13BrFN5O/c18-12-3-1-11(2-4-12)17(7-8-17)16(25)21-15-9-13(5-6-14(15)19)24-10-20-22-23-24/h1-6,9-10H,7-8H2,(H,21,25)
InChIKeyWWGVEVFQVPAOGE-UHFFFAOYSA-N
MW402.23 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 55813866) has the molecular formula C17H13BrFN5O and a molecular weight of 402.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID55813866
Molecular FormulaC17H13BrFN5O
Molecular Weight402.23 g/mol
Exact Mass401.03
IUPAC Name1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H13BrFN5O/c18-12-3-1-11(2-4-12)17(7-8-17)16(25)21-15-9-13(5-6-14(15)19)24-10-20-22-23-24/h1-6,9-10H,7-8H2,(H,21,25)
InChIKeyWWGVEVFQVPAOGE-UHFFFAOYSA-N
XLogP3.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide (CID 55813866) is 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1cc(-n2cnnn2)ccc1F)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is WWGVEVFQVPAOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN5O/c18-12-3-1-11(2-4-12)17(7-8-17)16(25)21-15-9-13(5-6-14(15)19)24-10-20-22-23-24/h1-6,9-10H,7-8H2,(H,21,25).
What are the key properties of 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 402.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55813866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).