N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide

C18H21FN2O4 — CID 119421050

IUPACN-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
SMILESCOCCOCc1cc(C(=O)Nc2cc(OC)ccc2N)ccc1F
InChIInChI=1S/C18H21FN2O4/c1-23-7-8-25-11-13-9-12(3-5-15(13)19)18(22)21-17-10-14(24-2)4-6-16(17)20/h3-6,9-10H,7-8,11,20H2,1-2H3,(H,21,22)
InChIKeyBHZNHQSQCPEDMR-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.83
Rot. Bonds8

About N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide

N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide (PubChem CID 119421050) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
PubChem CID119421050
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
SMILESCOCCOCc1cc(C(=O)Nc2cc(OC)ccc2N)ccc1F
InChIInChI=1S/C18H21FN2O4/c1-23-7-8-25-11-13-9-12(3-5-15(13)19)18(22)21-17-10-14(24-2)4-6-16(17)20/h3-6,9-10H,7-8,11,20H2,1-2H3,(H,21,22)
InChIKeyBHZNHQSQCPEDMR-UHFFFAOYSA-N
XLogP2.83
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-5-methoxyphenyl)-3-fluorobenzamide
CID 63258141
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119421075
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide
CID 119421096
N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
CID 119582717
4-fluoro-3-(heptoxymethyl)benzohydrazide
CID 107458143
4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
CID 107458270
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide (CID 119421050) is N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide is COCCOCc1cc(C(=O)Nc2cc(OC)ccc2N)ccc1F.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide?
The InChIKey is BHZNHQSQCPEDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-23-7-8-25-11-13-9-12(3-5-15(13)19)18(22)21-17-10-14(24-2)4-6-16(17)20/h3-6,9-10H,7-8,11,20H2,1-2H3,(H,21,22).
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide?
N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide has a molecular weight of 348.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide is sourced from PubChem (CID 119421050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).