N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide

C20H33FN4O — CID 119598813

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
SMILESCCN1CCN(c2ccc(C(=O)NC(C)(CN)CC(C)C)cc2F)CC1
InChIInChI=1S/C20H33FN4O/c1-5-24-8-10-25(11-9-24)18-7-6-16(12-17(18)21)19(26)23-20(4,14-22)13-15(2)3/h6-7,12,15H,5,8-11,13-14,22H2,1-4H3,(H,23,26)
InChIKeyNWQCLXDGFCVGIT-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.46
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide (PubChem CID 119598813) has the molecular formula C20H33FN4O and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
PubChem CID119598813
Molecular FormulaC20H33FN4O
Molecular Weight364.51 g/mol
Exact Mass364.26
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
SMILESCCN1CCN(c2ccc(C(=O)NC(C)(CN)CC(C)C)cc2F)CC1
InChIInChI=1S/C20H33FN4O/c1-5-24-8-10-25(11-9-24)18-7-6-16(12-17(18)21)19(26)23-20(4,14-22)13-15(2)3/h6-7,12,15H,5,8-11,13-14,22H2,1-4H3,(H,23,26)
InChIKeyNWQCLXDGFCVGIT-UHFFFAOYSA-N
XLogP2.46
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-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-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119574006
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
4-[[4-(4-ethylpiperazin-1-yl)-3-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119357271
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119600348
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119598363
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide (CID 119598813) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide is CCN1CCN(c2ccc(C(=O)NC(C)(CN)CC(C)C)cc2F)CC1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
The InChIKey is NWQCLXDGFCVGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4O/c1-5-24-8-10-25(11-9-24)18-7-6-16(12-17(18)21)19(26)23-20(4,14-22)13-15(2)3/h6-7,12,15H,5,8-11,13-14,22H2,1-4H3,(H,23,26).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide has a molecular weight of 364.51 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide is sourced from PubChem (CID 119598813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).