N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide

C14H21FN2O — CID 81484690

IUPACN-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(2)13(16)8-9-17(3)14(18)11-4-6-12(15)7-5-11/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyYWDRDPKIFFSRFN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.27
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide

N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide (PubChem CID 81484690) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
PubChem CID81484690
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(2)13(16)8-9-17(3)14(18)11-4-6-12(15)7-5-11/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyYWDRDPKIFFSRFN-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide
CID 119659917
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 119660333
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(3-amino-4-methylpentyl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119657391
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119658844
N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119661470

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide (CID 81484690) is N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide is CC(C)C(N)CCN(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide?
The InChIKey is YWDRDPKIFFSRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)13(16)8-9-17(3)14(18)11-4-6-12(15)7-5-11/h4-7,10,13H,8-9,16H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 81484690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).