N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide

C15H14ClFN2O2 — CID 107465720

IUPACN-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cc(Cl)ccc2N)cc1F
InChIInChI=1S/C15H14ClFN2O2/c1-19(13-8-10(16)4-5-12(13)18)15(20)9-3-6-14(21-2)11(17)7-9/h3-8H,18H2,1-2H3
InChIKeyFSOOXJKDIZWOOV-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.35
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide

N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide (PubChem CID 107465720) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
PubChem CID107465720
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cc(Cl)ccc2N)cc1F
InChIInChI=1S/C15H14ClFN2O2/c1-19(13-8-10(16)4-5-12(13)18)15(20)9-3-6-14(21-2)11(17)7-9/h3-8H,18H2,1-2H3
InChIKeyFSOOXJKDIZWOOV-UHFFFAOYSA-N
XLogP3.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.35
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

N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylbenzamide
CID 107465525
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
CID 107465613
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 107465510
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
N-(2-amino-5-chlorophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107465812
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide (CID 107465720) is N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)c2cc(Cl)ccc2N)cc1F.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide?
The InChIKey is FSOOXJKDIZWOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-19(13-8-10(16)4-5-12(13)18)15(20)9-3-6-14(21-2)11(17)7-9/h3-8H,18H2,1-2H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide?
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide has a molecular weight of 308.74 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 107465720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).