N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide

C19H17F2N5O3 — CID 41172438

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1OC(F)F
InChIInChI=1S/C19H17F2N5O3/c1-28-16-10-12(5-8-15(16)29-19(20)21)18(27)22-13-4-2-3-11(9-13)17-23-24-25-26(17)14-6-7-14/h2-5,8-10,14,19H,6-7H2,1H3,(H,22,27)
InChIKeyMILISZFDHWBCSK-UHFFFAOYSA-N
MW401.37 g/mol
LogP3.54
Rot. Bonds7

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 41172438) has the molecular formula C19H17F2N5O3 and a molecular weight of 401.37 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID41172438
Molecular FormulaC19H17F2N5O3
Molecular Weight401.37 g/mol
Exact Mass401.13
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1OC(F)F
InChIInChI=1S/C19H17F2N5O3/c1-28-16-10-12(5-8-15(16)29-19(20)21)18(27)22-13-4-2-3-11(9-13)17-23-24-25-26(17)14-6-7-14/h2-5,8-10,14,19H,6-7H2,1H3,(H,22,27)
InChIKeyMILISZFDHWBCSK-UHFFFAOYSA-N
XLogP3.54
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 41172438) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1OC(F)F.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is MILISZFDHWBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3/c1-28-16-10-12(5-8-15(16)29-19(20)21)18(27)22-13-4-2-3-11(9-13)17-23-24-25-26(17)14-6-7-14/h2-5,8-10,14,19H,6-7H2,1H3,(H,22,27).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 401.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 41172438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).