4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide

C24H26F2N4O3 — CID 158982977

IUPAC4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1F.CNC(=O)c1ccc(NCc2ccc(OC)cc2)cc1F
InChIInChI=1S/C16H17FN2O2.C8H9FN2O/c1-18-16(20)14-8-5-12(9-15(14)17)19-10-11-3-6-13(21-2)7-4-11;1-11-8(12)6-3-2-5(10)4-7(6)9/h3-9,19H,10H2,1-2H3,(H,18,20);2-4H,10H2,1H3,(H,11,12)
InChIKeyJPFQHCAJAQGJMQ-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.57
Rot. Bonds6

About 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide

4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide (PubChem CID 158982977) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide
PubChem CID158982977
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Name4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1F.CNC(=O)c1ccc(NCc2ccc(OC)cc2)cc1F
InChIInChI=1S/C16H17FN2O2.C8H9FN2O/c1-18-16(20)14-8-5-12(9-15(14)17)19-10-11-3-6-13(21-2)7-4-11;1-11-8(12)6-3-2-5(10)4-7(6)9/h3-9,19H,10H2,1-2H3,(H,18,20);2-4H,10H2,1H3,(H,11,12)
InChIKeyJPFQHCAJAQGJMQ-UHFFFAOYSA-N
XLogP3.57
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[[2-fluoro-4-[(4-methoxyphenyl)methylamino]phenyl]-hydroxymethylidene]-methylazanium
CID 146771473
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
CID 87019008
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
CID 114838796
2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38403308
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982736
3-[3-fluoro-4-(methylcarbamoyl)phenyl]-2,2-dimethylpropanoic acid
CID 158706666
4-[(4-aminophenyl)methylamino]-2-bromobenzamide
CID 107280913
2-hydroxy-4-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 68959972
2-fluoro-4-[(4-fluoro-3-methoxyanilino)methyl]benzoic acid
CID 106700567

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide (CID 158982977) is 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)cc1F.CNC(=O)c1ccc(NCc2ccc(OC)cc2)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide?
The InChIKey is JPFQHCAJAQGJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2.C8H9FN2O/c1-18-16(20)14-8-5-12(9-15(14)17)19-10-11-3-6-13(21-2)7-4-11;1-11-8(12)6-3-2-5(10)4-7(6)9/h3-9,19H,10H2,1-2H3,(H,18,20);2-4H,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide?
4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide has a molecular weight of 456.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 158982977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).