3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide

C23H26ClFN6O — CID 76643026

IUPAC3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN3CCCC(F)C3)cc(-n3cnnn3)c2)c(Cl)c1
InChIInChI=1S/C23H26ClFN6O/c1-15-5-6-21(22(24)8-15)17-9-18(11-20(10-17)31-14-26-28-29-31)23(32)27-16(2)12-30-7-3-4-19(25)13-30/h5-6,8-11,14,16,19H,3-4,7,12-13H2,1-2H3,(H,27,32)
InChIKeyUGOVHKWIAPLIQM-UHFFFAOYSA-N
MW456.95 g/mol
LogP3.84
Rot. Bonds6

About 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide

3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide (PubChem CID 76643026) has the molecular formula C23H26ClFN6O and a molecular weight of 456.95 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
PubChem CID76643026
Molecular FormulaC23H26ClFN6O
Molecular Weight456.95 g/mol
Exact Mass456.18
IUPAC Name3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN3CCCC(F)C3)cc(-n3cnnn3)c2)c(Cl)c1
InChIInChI=1S/C23H26ClFN6O/c1-15-5-6-21(22(24)8-15)17-9-18(11-20(10-17)31-14-26-28-29-31)23(32)27-16(2)12-30-7-3-4-19(25)13-30/h5-6,8-11,14,16,19H,3-4,7,12-13H2,1-2H3,(H,27,32)
InChIKeyUGOVHKWIAPLIQM-UHFFFAOYSA-N
XLogP3.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 76643056
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-(2-chloro-4-fluorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(5-methyltetrazol-1-yl)benzamide
CID 76643022
3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 69004303
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966
N-[1-[[(2R)-3-chloro-2-fluoropropyl]amino]propan-2-yl]-3-(2-chloro-4-methylphenyl)-5-(5-ethyltetrazol-1-yl)benzamide
CID 90844883
N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
CID 143820171
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76643050
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide (CID 76643026) is 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)CN3CCCC(F)C3)cc(-n3cnnn3)c2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide?
The InChIKey is UGOVHKWIAPLIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6O/c1-15-5-6-21(22(24)8-15)17-9-18(11-20(10-17)31-14-26-28-29-31)23(32)27-16(2)12-30-7-3-4-19(25)13-30/h5-6,8-11,14,16,19H,3-4,7,12-13H2,1-2H3,(H,27,32).
What are the key properties of 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide?
3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide has a molecular weight of 456.95 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 76643026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).