N-(3-amino-5-fluorophenyl)-3-methylbenzamide

C14H13FN2O — CID 107334074

IUPACN-(3-amino-5-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N)cc(F)c2)c1
InChIInChI=1S/C14H13FN2O/c1-9-3-2-4-10(5-9)14(18)17-13-7-11(15)6-12(16)8-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyLISYMAXUSZAOOO-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.97
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)-3-methylbenzamide

N-(3-amino-5-fluorophenyl)-3-methylbenzamide (PubChem CID 107334074) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-3-methylbenzamide
PubChem CID107334074
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC NameN-(3-amino-5-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N)cc(F)c2)c1
InChIInChI=1S/C14H13FN2O/c1-9-3-2-4-10(5-9)14(18)17-13-7-11(15)6-12(16)8-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyLISYMAXUSZAOOO-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide
CID 107333857
N-(3-amino-5-fluorophenyl)-3-(3-methylphenyl)propanamide
CID 107333898
N-(3-amino-5-fluorophenyl)-4-methoxybenzamide
CID 107333930
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3,5-diamino-N-(3,5-difluorophenyl)benzamide
CID 61091904
3-acetamido-N-(3,5-difluorophenyl)benzamide
CID 17427227
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-3-methylbenzamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-3-methylbenzamide (CID 107334074) is N-(3-amino-5-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(N)cc(F)c2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-3-methylbenzamide?
The InChIKey is LISYMAXUSZAOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-3-2-4-10(5-9)14(18)17-13-7-11(15)6-12(16)8-13/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-5-fluorophenyl)-3-methylbenzamide?
N-(3-amino-5-fluorophenyl)-3-methylbenzamide has a molecular weight of 244.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 107334074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).