2-amino-5-(2-fluoro-5-methylanilino)benzamide

C14H14FN3O — CID 61307828

IUPAC2-amino-5-(2-fluoro-5-methylanilino)benzamide
SMILESCc1ccc(F)c(Nc2ccc(N)c(C(N)=O)c2)c1
InChIInChI=1S/C14H14FN3O/c1-8-2-4-11(15)13(6-8)18-9-3-5-12(16)10(7-9)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyDCMIMMPVCLVZQG-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.56
Rot. Bonds3

About 2-amino-5-(2-fluoro-5-methylanilino)benzamide

2-amino-5-(2-fluoro-5-methylanilino)benzamide (PubChem CID 61307828) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-amino-5-(2-fluoro-5-methylanilino)benzamide.

Molecular Properties

Compound Name2-amino-5-(2-fluoro-5-methylanilino)benzamide
PubChem CID61307828
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-amino-5-(2-fluoro-5-methylanilino)benzamide
SMILESCc1ccc(F)c(Nc2ccc(N)c(C(N)=O)c2)c1
InChIInChI=1S/C14H14FN3O/c1-8-2-4-11(15)13(6-8)18-9-3-5-12(16)10(7-9)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyDCMIMMPVCLVZQG-UHFFFAOYSA-N
XLogP2.56
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-amino-5-(2,3-difluoroanilino)benzamide
CID 61306978
1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone
CID 104612267
2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325
2-amino-5-(2-bromo-5-methylanilino)benzoic acid
CID 82766993
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142
2-amino-5-(5-bromo-2-fluoroanilino)benzoic acid
CID 55024972
2-amino-5-(2,4,6-trimethylanilino)benzamide
CID 61313467
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557
2-amino-5-(2-bromo-5-fluoroanilino)benzamide
CID 107637874
2-amino-5-(4-chloro-2-iodoanilino)benzamide
CID 107637821

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-fluoro-5-methylanilino)benzamide?
The IUPAC name of 2-amino-5-(2-fluoro-5-methylanilino)benzamide (CID 61307828) is 2-amino-5-(2-fluoro-5-methylanilino)benzamide.
What is the SMILES notation for 2-amino-5-(2-fluoro-5-methylanilino)benzamide?
The canonical SMILES for 2-amino-5-(2-fluoro-5-methylanilino)benzamide is Cc1ccc(F)c(Nc2ccc(N)c(C(N)=O)c2)c1.
What is the InChIKey of 2-amino-5-(2-fluoro-5-methylanilino)benzamide?
The InChIKey is DCMIMMPVCLVZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-2-4-11(15)13(6-8)18-9-3-5-12(16)10(7-9)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 2-amino-5-(2-fluoro-5-methylanilino)benzamide?
2-amino-5-(2-fluoro-5-methylanilino)benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-fluoro-5-methylanilino)benzamide is sourced from PubChem (CID 61307828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).