N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide

C14H18FNO2 — CID 84592217

IUPACN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C14H18FNO2/c1-9-7-11(15)5-6-12(9)13(18)16-14(2,8-17)10-3-4-10/h5-7,10,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyNERZECAEPHYPBR-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.02
Rot. Bonds4

About N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide

N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide (PubChem CID 84592217) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide
PubChem CID84592217
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C14H18FNO2/c1-9-7-11(15)5-6-12(9)13(18)16-14(2,8-17)10-3-4-10/h5-7,10,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyNERZECAEPHYPBR-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluoro-2-methylbenzamide
CID 114008483
4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
CID 75519360
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide
CID 97246294
4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide
CID 86814287
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
CID 97002318
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119573824
N-[3-(chloromethyl)pentan-3-yl]-4-fluoro-2-methylbenzamide
CID 113400388
N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119574662
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 110016360
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide (CID 84592217) is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NC(C)(CO)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide?
The InChIKey is NERZECAEPHYPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-7-11(15)5-6-12(9)13(18)16-14(2,8-17)10-3-4-10/h5-7,10,17H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide?
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide has a molecular weight of 251.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 84592217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).