N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide

C13H16FNO2 — CID 104917550

IUPACN-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide
SMILESCCN(CC1CC1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO2/c1-2-15(8-9-6-7-9)13(17)12-10(14)4-3-5-11(12)16/h3-5,9,16H,2,6-8H2,1H3
InChIKeyRUTWUEJRAQQPDL-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.40
Rot. Bonds4

About N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide

N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide (PubChem CID 104917550) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide
PubChem CID104917550
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide
SMILESCCN(CC1CC1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO2/c1-2-15(8-9-6-7-9)13(17)12-10(14)4-3-5-11(12)16/h3-5,9,16H,2,6-8H2,1H3
InChIKeyRUTWUEJRAQQPDL-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide
CID 104916648
N-ethyl-2,6-dihydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 107690375
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917885
2-fluoro-6-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107015989
2-amino-N-(cyclopropylmethyl)-N-ethyl-6-methylbenzamide
CID 63954074
N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 107013078
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344
N-(cyclopropylmethyl)-N-ethyl-3-hydroxypyridine-2-carboxamide
CID 63955616
N-ethyl-2-fluoro-6-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104918138

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide (CID 104917550) is N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide is CCN(CC1CC1)C(=O)c1c(O)cccc1F.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide?
The InChIKey is RUTWUEJRAQQPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-2-15(8-9-6-7-9)13(17)12-10(14)4-3-5-11(12)16/h3-5,9,16H,2,6-8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide?
N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide has a molecular weight of 237.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104917550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).