5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide

C17H18FN3O3 — CID 22145827

IUPAC5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide
SMILESCOc1cc(F)c(C(=O)Nc2ncccn2)cc1OC1CCCC1
InChIInChI=1S/C17H18FN3O3/c1-23-14-10-13(18)12(9-15(14)24-11-5-2-3-6-11)16(22)21-17-19-7-4-8-20-17/h4,7-11H,2-3,5-6H2,1H3,(H,19,20,21,22)
InChIKeyJGQBNUFYBKAPKT-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.20
Rot. Bonds5

About 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide

5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide (PubChem CID 22145827) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide
PubChem CID22145827
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide
SMILESCOc1cc(F)c(C(=O)Nc2ncccn2)cc1OC1CCCC1
InChIInChI=1S/C17H18FN3O3/c1-23-14-10-13(18)12(9-15(14)24-11-5-2-3-6-11)16(22)21-17-19-7-4-8-20-17/h4,7-11H,2-3,5-6H2,1H3,(H,19,20,21,22)
InChIKeyJGQBNUFYBKAPKT-UHFFFAOYSA-N
XLogP3.20
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyloxy-N-(2,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
CID 22145684
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 22145771
5-cyclopentyloxy-N-(3,5-dimethyl-4-pyridinyl)-2-fluoro-4-methoxybenzamide
CID 22145816
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 22145674
N-(4-chloro-3-pyridinyl)-5-cyclopentyloxy-2-fluoro-4-methoxybenzamide
CID 22145902
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride
CID 22145711
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide (CID 22145827) is 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide is COc1cc(F)c(C(=O)Nc2ncccn2)cc1OC1CCCC1.
What is the InChIKey of 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide?
The InChIKey is JGQBNUFYBKAPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-23-14-10-13(18)12(9-15(14)24-11-5-2-3-6-11)16(22)21-17-19-7-4-8-20-17/h4,7-11H,2-3,5-6H2,1H3,(H,19,20,21,22).
What are the key properties of 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide?
5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide has a molecular weight of 331.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 22145827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).