5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide

C18H25FN2O3 — CID 111471118

IUPAC5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCC2CCCC2O)c1
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)17(24)21-12-7-8-14(19)13(9-12)16(23)20-10-11-5-4-6-15(11)22/h7-9,11,15,22H,4-6,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyRUYYNRIKFLWQHM-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.70
Rot. Bonds4

About 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide

5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide (PubChem CID 111471118) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide
PubChem CID111471118
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCC2CCCC2O)c1
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)17(24)21-12-7-8-14(19)13(9-12)16(23)20-10-11-5-4-6-15(11)22/h7-9,11,15,22H,4-6,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyRUYYNRIKFLWQHM-UHFFFAOYSA-N
XLogP2.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490961
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide
CID 111471133
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
CID 167757534
N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 62317574
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
5-fluoro-N-[(2-hydroxycyclopentyl)methyl]-2-methoxybenzamide
CID 111464236
N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490898
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 113272633

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide (CID 111471118) is 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide is CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCC2CCCC2O)c1.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is RUYYNRIKFLWQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(2,3)17(24)21-12-7-8-14(19)13(9-12)16(23)20-10-11-5-4-6-15(11)22/h7-9,11,15,22H,4-6,10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide?
5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 336.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 111471118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).