N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide

C16H16F2N4O3 — CID 146642838

IUPACN-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide
SMILES[H]/N=N/c1c(N)ccc(OC)c1CNC(=O)c1cc(F)c(OC)c(F)c1
InChIInChI=1S/C16H16F2N4O3/c1-24-13-4-3-12(19)14(22-20)9(13)7-21-16(23)8-5-10(17)15(25-2)11(18)6-8/h3-6,20H,7,19H2,1-2H3,(H,21,23)/b22-20+
InChIKeyGZSPSFQLMDYOTN-LSDHQDQOSA-N
MW350.33 g/mol
LogP3.16
Rot. Bonds6

About N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide

N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide (PubChem CID 146642838) has the molecular formula C16H16F2N4O3 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide
PubChem CID146642838
Molecular FormulaC16H16F2N4O3
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC NameN-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide
SMILES[H]/N=N/c1c(N)ccc(OC)c1CNC(=O)c1cc(F)c(OC)c(F)c1
InChIInChI=1S/C16H16F2N4O3/c1-24-13-4-3-12(19)14(22-20)9(13)7-21-16(23)8-5-10(17)15(25-2)11(18)6-8/h3-6,20H,7,19H2,1-2H3,(H,21,23)/b22-20+
InChIKeyGZSPSFQLMDYOTN-LSDHQDQOSA-N
XLogP3.16
TPSA109.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide
CID 137453514
N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide
CID 146642855
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide
CID 146643476
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[(3-amino-6-cyclopropyl-2-methanimidoylphenyl)methyl]-3,4,5-trifluorobenzamide
CID 146642760
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide?
The IUPAC name of N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide (CID 146642838) is N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide?
The canonical SMILES for N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide is [H]/N=N/c1c(N)ccc(OC)c1CNC(=O)c1cc(F)c(OC)c(F)c1.
What is the InChIKey of N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide?
The InChIKey is GZSPSFQLMDYOTN-LSDHQDQOSA-N. The full InChI is InChI=1S/C16H16F2N4O3/c1-24-13-4-3-12(19)14(22-20)9(13)7-21-16(23)8-5-10(17)15(25-2)11(18)6-8/h3-6,20H,7,19H2,1-2H3,(H,21,23)/b22-20+.
What are the key properties of N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide?
N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide has a molecular weight of 350.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide is sourced from PubChem (CID 146642838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).