N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide

C23H19N5O2 — CID 41181527

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H19N5O2/c29-23(20-11-4-5-12-21(20)30-19-9-2-1-3-10-19)24-17-8-6-7-16(15-17)22-25-26-27-28(22)18-13-14-18/h1-12,15,18H,13-14H2,(H,24,29)
InChIKeyLOTICSFBZNYEDQ-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.72
Rot. Bonds6

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide (PubChem CID 41181527) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide
PubChem CID41181527
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H19N5O2/c29-23(20-11-4-5-12-21(20)30-19-9-2-1-3-10-19)24-17-8-6-7-16(15-17)22-25-26-27-28(22)18-13-14-18/h1-12,15,18H,13-14H2,(H,24,29)
InChIKeyLOTICSFBZNYEDQ-UHFFFAOYSA-N
XLogP4.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 51323319
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55501342
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide
CID 86893928
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide
CID 46532818
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417635
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 24590722

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide (CID 41181527) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide?
The InChIKey is LOTICSFBZNYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c29-23(20-11-4-5-12-21(20)30-19-9-2-1-3-10-19)24-17-8-6-7-16(15-17)22-25-26-27-28(22)18-13-14-18/h1-12,15,18H,13-14H2,(H,24,29).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide has a molecular weight of 397.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide is sourced from PubChem (CID 41181527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).