2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide

C14H13Cl2F4N5O2 — CID 121288852

IUPAC2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide
SMILESCCCn1nnnc1NC(=O)c1c(F)cc(Cl)c(OCCC(F)(F)F)c1Cl
InChIInChI=1S/C14H13Cl2F4N5O2/c1-2-4-25-13(22-23-24-25)21-12(26)9-8(17)6-7(15)11(10(9)16)27-5-3-14(18,19)20/h6H,2-5H2,1H3,(H,21,22,24,26)
InChIKeyUFFKHUAVYKBSFT-UHFFFAOYSA-N
MW430.19 g/mol
LogP4.11
Rot. Bonds7

About 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide

2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide (PubChem CID 121288852) has the molecular formula C14H13Cl2F4N5O2 and a molecular weight of 430.19 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide
PubChem CID121288852
Molecular FormulaC14H13Cl2F4N5O2
Molecular Weight430.19 g/mol
Exact Mass429.04
IUPAC Name2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide
SMILESCCCn1nnnc1NC(=O)c1c(F)cc(Cl)c(OCCC(F)(F)F)c1Cl
InChIInChI=1S/C14H13Cl2F4N5O2/c1-2-4-25-13(22-23-24-25)21-12(26)9-8(17)6-7(15)11(10(9)16)27-5-3-14(18,19)20/h6H,2-5H2,1H3,(H,21,22,24,26)
InChIKeyUFFKHUAVYKBSFT-UHFFFAOYSA-N
XLogP4.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide?
The IUPAC name of 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide (CID 121288852) is 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide.
What is the SMILES notation for 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide?
The canonical SMILES for 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide is CCCn1nnnc1NC(=O)c1c(F)cc(Cl)c(OCCC(F)(F)F)c1Cl.
What is the InChIKey of 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide?
The InChIKey is UFFKHUAVYKBSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F4N5O2/c1-2-4-25-13(22-23-24-25)21-12(26)9-8(17)6-7(15)11(10(9)16)27-5-3-14(18,19)20/h6H,2-5H2,1H3,(H,21,22,24,26).
What are the key properties of 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide?
2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide has a molecular weight of 430.19 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-N-(1-propyltetrazol-5-yl)-3-(3,3,3-trifluoropropoxy)benzamide is sourced from PubChem (CID 121288852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).