N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide

C17H27FN2O — CID 60927482

IUPACN-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide
SMILESCCCCCCCC(C)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C17H27FN2O/c1-4-5-6-7-8-9-13(2)19-15-10-11-16(18)17(12-15)20-14(3)21/h10-13,19H,4-9H2,1-3H3,(H,20,21)
InChIKeyOJBVJKQKZFUDNN-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.95
Rot. Bonds9

About N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide

N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide (PubChem CID 60927482) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide
PubChem CID60927482
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide
SMILESCCCCCCCC(C)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C17H27FN2O/c1-4-5-6-7-8-9-13(2)19-15-10-11-16(18)17(12-15)20-14(3)21/h10-13,19H,4-9H2,1-3H3,(H,20,21)
InChIKeyOJBVJKQKZFUDNN-UHFFFAOYSA-N
XLogP4.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-fluoro-5-(nonan-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-(hexan-2-ylamino)phenyl]acetamide
CID 43778939
N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
CID 43672857
N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
2-fluoro-4-(hexadecan-2-ylamino)benzoic acid
CID 20536551
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
CID 43672568
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
methyl 4-fluoro-3-(nonan-2-ylamino)benzoate
CID 43684456
2-fluoro-4-(octan-2-ylamino)benzenecarbothioamide
CID 115368067
methyl 2-(3-acetamido-4-fluoroanilino)butanoate
CID 110209270

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide (CID 60927482) is N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide is CCCCCCCC(C)Nc1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide?
The InChIKey is OJBVJKQKZFUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-5-6-7-8-9-13(2)19-15-10-11-16(18)17(12-15)20-14(3)21/h10-13,19H,4-9H2,1-3H3,(H,20,21).
What are the key properties of N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide?
N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide has a molecular weight of 294.41 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 60927482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).