N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide

C13H16FNO2 — CID 63298880

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(O)C2CC2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-8-6-10(4-5-11(8)14)13(17)15-7-12(16)9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyXFAYPYWUHQSEON-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.63
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide

N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide (PubChem CID 63298880) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
PubChem CID63298880
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(O)C2CC2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-8-6-10(4-5-11(8)14)13(17)15-7-12(16)9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyXFAYPYWUHQSEON-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
N-(2-bromo-2-cyclopropylethyl)-3-fluoro-4-methylbenzamide
CID 114315854
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide (CID 63298880) is N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCC(O)C2CC2)ccc1F.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide?
The InChIKey is XFAYPYWUHQSEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-6-10(4-5-11(8)14)13(17)15-7-12(16)9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H,15,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide?
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide has a molecular weight of 237.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63298880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).