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

C14H21FN2O — CID 43778939

IUPACN-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide
SMILESCCCCC(C)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C14H21FN2O/c1-4-5-6-10(2)16-14-9-12(17-11(3)18)7-8-13(14)15/h7-10,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyAMOZFAJBAJMXLI-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.77
Rot. Bonds6

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

N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide (PubChem CID 43778939) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide
PubChem CID43778939
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide
SMILESCCCCC(C)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C14H21FN2O/c1-4-5-6-10(2)16-14-9-12(17-11(3)18)7-8-13(14)15/h7-10,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyAMOZFAJBAJMXLI-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
CID 43672568
N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide
CID 60927482
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597
2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
methyl 4-fluoro-3-(nonan-2-ylamino)benzoate
CID 43684456
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
2-fluoro-N-heptan-2-yl-5-methylsulfonylaniline
CID 43717574
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide (CID 43778939) is N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide is CCCCC(C)Nc1cc(NC(C)=O)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide?
The InChIKey is AMOZFAJBAJMXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-5-6-10(2)16-14-9-12(17-11(3)18)7-8-13(14)15/h7-10,16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide?
N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide has a molecular weight of 252.33 g/mol, XLogP of 3.77, 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-(hexan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 43778939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).