2-amino-4-fluoro-5-(7-methyloctylamino)benzamide

C16H26FN3O — CID 107817780

IUPAC2-amino-4-fluoro-5-(7-methyloctylamino)benzamide
SMILESCC(C)CCCCCCNc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C16H26FN3O/c1-11(2)7-5-3-4-6-8-20-15-9-12(16(19)21)14(18)10-13(15)17/h9-11,20H,3-8,18H2,1-2H3,(H2,19,21)
InChIKeyVDFLSHHESDKYKI-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.53
Rot. Bonds9

About 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide

2-amino-4-fluoro-5-(7-methyloctylamino)benzamide (PubChem CID 107817780) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-(7-methyloctylamino)benzamide
PubChem CID107817780
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name2-amino-4-fluoro-5-(7-methyloctylamino)benzamide
SMILESCC(C)CCCCCCNc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C16H26FN3O/c1-11(2)7-5-3-4-6-8-20-15-9-12(16(19)21)14(18)10-13(15)17/h9-11,20H,3-8,18H2,1-2H3,(H2,19,21)
InChIKeyVDFLSHHESDKYKI-UHFFFAOYSA-N
XLogP3.53
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide 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

2-amino-4-fluoro-5-(4-propan-2-yloxybutylamino)benzoic acid
CID 106014240
2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide
CID 62201221
4-bromo-5-fluoro-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814758
3-fluoro-4-(5-methylhexylamino)benzenecarbothioamide
CID 113287511
2-amino-4-fluoro-5-(2-pyrrolidin-1-ylethylamino)benzamide
CID 62640366
5-amino-2-(7-methyloctylamino)benzoic acid
CID 107817773
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
2-fluoro-5-(5-methylhexylamino)-4-nitrobenzoic acid
CID 104700076
2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide
CID 63996582
3,5-difluoro-4-(7-methyloctylamino)benzoic acid
CID 107815542
2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
CID 103585744
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide?
The IUPAC name of 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide (CID 107817780) is 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide is CC(C)CCCCCCNc1cc(C(N)=O)c(N)cc1F.
What is the InChIKey of 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide?
The InChIKey is VDFLSHHESDKYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-11(2)7-5-3-4-6-8-20-15-9-12(16(19)21)14(18)10-13(15)17/h9-11,20H,3-8,18H2,1-2H3,(H2,19,21).
What are the key properties of 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide?
2-amino-4-fluoro-5-(7-methyloctylamino)benzamide has a molecular weight of 295.40 g/mol, XLogP of 3.53, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-(7-methyloctylamino)benzamide is sourced from PubChem (CID 107817780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).