N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide

C20H25FN4O2 — CID 119419669

IUPACN-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(OC)c(N)c3)cc2F)CC1
InChIInChI=1S/C20H25FN4O2/c1-3-24-8-10-25(11-9-24)18-6-4-14(12-16(18)21)20(26)23-15-5-7-19(27-2)17(22)13-15/h4-7,12-13H,3,8-11,22H2,1-2H3,(H,23,26)
InChIKeyGGYVKRCJDZHZBC-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.81
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide

N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide (PubChem CID 119419669) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
PubChem CID119419669
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(OC)c(N)c3)cc2F)CC1
InChIInChI=1S/C20H25FN4O2/c1-3-24-8-10-25(11-9-24)18-6-4-14(12-16(18)21)20(26)23-15-5-7-19(27-2)17(22)13-15/h4-7,12-13H,3,8-11,22H2,1-2H3,(H,23,26)
InChIKeyGGYVKRCJDZHZBC-UHFFFAOYSA-N
XLogP2.81
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide 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-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 86982054
N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 119419850
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 91676100
CID 165119035
CID 165119035
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide (CID 119419669) is N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide is CCN1CCN(c2ccc(C(=O)Nc3ccc(OC)c(N)c3)cc2F)CC1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
The InChIKey is GGYVKRCJDZHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-3-24-8-10-25(11-9-24)18-6-4-14(12-16(18)21)20(26)23-15-5-7-19(27-2)17(22)13-15/h4-7,12-13H,3,8-11,22H2,1-2H3,(H,23,26).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide has a molecular weight of 372.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide is sourced from PubChem (CID 119419669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).