N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide

C14H21FN2O — CID 63754724

IUPACN-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CN)CC(C)C)cc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)6-12(8-16)17-14(18)11-5-4-10(3)13(15)7-11/h4-5,7,9,12H,6,8,16H2,1-3H3,(H,17,18)
InChIKeyDTAUMOLQVFOTMV-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.24
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide

N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide (PubChem CID 63754724) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
PubChem CID63754724
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CN)CC(C)C)cc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)6-12(8-16)17-14(18)11-5-4-10(3)13(15)7-11/h4-5,7,9,12H,6,8,16H2,1-3H3,(H,17,18)
InChIKeyDTAUMOLQVFOTMV-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide
CID 51950559
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide (CID 63754724) is N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC(CN)CC(C)C)cc1F.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide?
The InChIKey is DTAUMOLQVFOTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)6-12(8-16)17-14(18)11-5-4-10(3)13(15)7-11/h4-5,7,9,12H,6,8,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide?
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 63754724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).