N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

C16H15F6N5O — CID 30295463

IUPACN-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F6N5O/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)14(28)23-8-13-24-25-26-27(13)12-3-1-2-4-12/h5-7,12H,1-4,8H2,(H,23,28)
InChIKeyFFNKUOGVEOKSQN-UHFFFAOYSA-N
MW407.32 g/mol
LogP3.76
Rot. Bonds4

About N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 30295463) has the molecular formula C16H15F6N5O and a molecular weight of 407.32 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID30295463
Molecular FormulaC16H15F6N5O
Molecular Weight407.32 g/mol
Exact Mass407.12
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F6N5O/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)14(28)23-8-13-24-25-26-27(13)12-3-1-2-4-12/h5-7,12H,1-4,8H2,(H,23,28)
InChIKeyFFNKUOGVEOKSQN-UHFFFAOYSA-N
XLogP3.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide (CID 30295463) is N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCc1nnnn1C1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is FFNKUOGVEOKSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N5O/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)14(28)23-8-13-24-25-26-27(13)12-3-1-2-4-12/h5-7,12H,1-4,8H2,(H,23,28).
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 407.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 30295463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).