N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide

C14H13FN2O2 — CID 55125214

IUPACN-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1F
InChIInChI=1S/C14H13FN2O2/c1-19-13-7-2-9(8-12(13)15)14(18)17-11-5-3-10(16)4-6-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyUUQDQRHANXADPJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.67
Rot. Bonds3

About N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide

N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide (PubChem CID 55125214) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
PubChem CID55125214
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1F
InChIInChI=1S/C14H13FN2O2/c1-19-13-7-2-9(8-12(13)15)14(18)17-11-5-3-10(16)4-6-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyUUQDQRHANXADPJ-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 63188030
4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide (CID 55125214) is N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N)cc2)cc1F.
What is the InChIKey of N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is UUQDQRHANXADPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-13-7-2-9(8-12(13)15)14(18)17-11-5-3-10(16)4-6-11/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide?
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 260.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 55125214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).