N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide

C15H15FN2O2 — CID 102881879

IUPACN-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cccc(N)c2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-18(11-5-3-4-10(17)8-11)15(19)13-7-6-12(20-2)9-14(13)16/h3-9H,17H2,1-2H3
InChIKeyZGDCKCMQQGEKKX-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.69
Rot. Bonds3

About N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide

N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide (PubChem CID 102881879) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
PubChem CID102881879
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cccc(N)c2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-18(11-5-3-4-10(17)8-11)15(19)13-7-6-12(20-2)9-14(13)16/h3-9H,17H2,1-2H3
InChIKeyZGDCKCMQQGEKKX-UHFFFAOYSA-N
XLogP2.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881845
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 63110478
N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 61297683
N-(3-aminophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107013206
N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 61297313
4-fluoro-2-hydroxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107015204
N-[2-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881851
2-amino-3-fluoro-N-(3-methoxyphenyl)-N-methylpyridine-4-carboxamide
CID 105385330

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide (CID 102881879) is N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)c2cccc(N)c2)c(F)c1.
What is the InChIKey of N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide?
The InChIKey is ZGDCKCMQQGEKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-18(11-5-3-4-10(17)8-11)15(19)13-7-6-12(20-2)9-14(13)16/h3-9H,17H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide?
N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 102881879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).