N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide

C18H14F3N5O — CID 17493906

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)13-5-1-4-12(9-13)17(27)22-14-6-2-3-11(10-14)16-23-24-25-26(16)15-7-8-15/h1-6,9-10,15H,7-8H2,(H,22,27)
InChIKeyUFJJZXRLBZGCMG-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.95
Rot. Bonds4

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 17493906) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID17493906
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)13-5-1-4-12(9-13)17(27)22-14-6-2-3-11(10-14)16-23-24-25-26(16)15-7-8-15/h1-6,9-10,15H,7-8H2,(H,22,27)
InChIKeyUFJJZXRLBZGCMG-UHFFFAOYSA-N
XLogP3.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 41172918
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41182442
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 24590722
1-(3-chlorophenyl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30085066
N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871891

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 17493906) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UFJJZXRLBZGCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)13-5-1-4-12(9-13)17(27)22-14-6-2-3-11(10-14)16-23-24-25-26(16)15-7-8-15/h1-6,9-10,15H,7-8H2,(H,22,27).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 373.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 17493906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).