N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide

C15H23FN2O — CID 43672568

IUPACN-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(C)CCC(C)C)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)5-6-11(3)17-15-9-13(18-12(4)19)7-8-14(15)16/h7-11,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyMUKCCDMJQSBBOC-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.02
Rot. Bonds6

About N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide

N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide (PubChem CID 43672568) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
PubChem CID43672568
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(C)CCC(C)C)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)5-6-11(3)17-15-9-13(18-12(4)19)7-8-14(15)16/h7-11,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyMUKCCDMJQSBBOC-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide
CID 43778939
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597
N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide
CID 60927482
2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline
CID 63478411
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
N-[4-fluoro-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43778944
N-(4-fluoro-3-methylsulfanylphenyl)acetamide
CID 91881077

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide (CID 43672568) is N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide is CC(=O)Nc1ccc(F)c(NC(C)CCC(C)C)c1.
What is the InChIKey of N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide?
The InChIKey is MUKCCDMJQSBBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)5-6-11(3)17-15-9-13(18-12(4)19)7-8-14(15)16/h7-11,17H,5-6H2,1-4H3,(H,18,19).
What are the key properties of N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide?
N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide has a molecular weight of 266.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 43672568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).