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

C14H21FN2O — CID 106356719

IUPACN-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CCN)C(C)C)ccc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)13(6-7-16)17-14(18)11-4-5-12(15)10(3)8-11/h4-5,8-9,13H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyIEQHKXBLMLHOIC-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.24
Rot. Bonds5

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

N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide (PubChem CID 106356719) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
PubChem CID106356719
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CCN)C(C)C)ccc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)13(6-7-16)17-14(18)11-4-5-12(15)10(3)8-11/h4-5,8-9,13H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyIEQHKXBLMLHOIC-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

N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide
CID 55163659
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752
N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115649751
2-[(4-fluoro-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 63210063
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
N-(1-chloro-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 114177722
N-(1-bromo-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 106355347
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
N-(1-chloro-3-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114305513

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide (CID 106356719) is N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NC(CCN)C(C)C)ccc1F.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide?
The InChIKey is IEQHKXBLMLHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)13(6-7-16)17-14(18)11-4-5-12(15)10(3)8-11/h4-5,8-9,13H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide?
N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-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-3-yl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 106356719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).