N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide

C18H26FN3O2 — CID 119600964

IUPACN-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NC2CCCC2CN)cc1F
InChIInChI=1S/C18H26FN3O2/c1-11(2)8-17(23)21-16-7-6-12(9-14(16)19)18(24)22-15-5-3-4-13(15)10-20/h6-7,9,11,13,15H,3-5,8,10,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBOGHJWWIIOADDZ-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide

N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide (PubChem CID 119600964) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
PubChem CID119600964
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NC2CCCC2CN)cc1F
InChIInChI=1S/C18H26FN3O2/c1-11(2)8-17(23)21-16-7-6-12(9-14(16)19)18(24)22-15-5-3-4-13(15)10-20/h6-7,9,11,13,15H,3-5,8,10,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBOGHJWWIIOADDZ-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
3-fluoro-4-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbenzamide
CID 119449903
N-(2-aminoethyl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119382331
N-[(2S)-1-aminopropan-2-yl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 120506377
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119605802
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
(2S)-2-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 99776333
3-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]thiolane-3-carboxylic acid
CID 120531535
N-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-fluorophenyl]-3-methylbutanamide;hydrochloride
CID 119483613
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide (CID 119600964) is N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide is CC(C)CC(=O)Nc1ccc(C(=O)NC2CCCC2CN)cc1F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide?
The InChIKey is BOGHJWWIIOADDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-11(2)8-17(23)21-16-7-6-12(9-14(16)19)18(24)22-15-5-3-4-13(15)10-20/h6-7,9,11,13,15H,3-5,8,10,20H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide?
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide has a molecular weight of 335.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 119600964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).