N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide

C17H18FN3O2 — CID 154933527

IUPACN-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide
SMILESCOc1cccc(-c2ncc(F)cn2)c1C(=O)NC1CCCC1
InChIInChI=1S/C17H18FN3O2/c1-23-14-8-4-7-13(16-19-9-11(18)10-20-16)15(14)17(22)21-12-5-2-3-6-12/h4,7-10,12H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyRRTBLPVRJIRATI-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.96
Rot. Bonds4

About N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide

N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide (PubChem CID 154933527) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide
PubChem CID154933527
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide
SMILESCOc1cccc(-c2ncc(F)cn2)c1C(=O)NC1CCCC1
InChIInChI=1S/C17H18FN3O2/c1-23-14-8-4-7-13(16-19-9-11(18)10-20-16)15(14)17(22)21-12-5-2-3-6-12/h4,7-10,12H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyRRTBLPVRJIRATI-UHFFFAOYSA-N
XLogP2.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
N-cyclopentyl-2,6-diethoxybenzamide
CID 118034872
2-bromo-N-cyclopropyl-6-methoxybenzamide
CID 171934573
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
N-cyclopentyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110848681
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide?
The IUPAC name of N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide (CID 154933527) is N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide.
What is the SMILES notation for N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide?
The canonical SMILES for N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide is COc1cccc(-c2ncc(F)cn2)c1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide?
The InChIKey is RRTBLPVRJIRATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-23-14-8-4-7-13(16-19-9-11(18)10-20-16)15(14)17(22)21-12-5-2-3-6-12/h4,7-10,12H,2-3,5-6H2,1H3,(H,21,22).
What are the key properties of N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide?
N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide has a molecular weight of 315.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide is sourced from PubChem (CID 154933527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).