N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide

C19H30FN3O2 — CID 139298102

IUPACN-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide
SMILESCCNC(=O)CC(C)(CC)NCCC(C)NC(=O)c1ccccc1F
InChIInChI=1S/C19H30FN3O2/c1-5-19(4,13-17(24)21-6-2)22-12-11-14(3)23-18(25)15-9-7-8-10-16(15)20/h7-10,14,22H,5-6,11-13H2,1-4H3,(H,21,24)(H,23,25)
InChIKeyUWTQMWIMCYMXLX-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.62
Rot. Bonds10

About N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide

N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide (PubChem CID 139298102) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide
PubChem CID139298102
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC NameN-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide
SMILESCCNC(=O)CC(C)(CC)NCCC(C)NC(=O)c1ccccc1F
InChIInChI=1S/C19H30FN3O2/c1-5-19(4,13-17(24)21-6-2)22-12-11-14(3)23-18(25)15-9-7-8-10-16(15)20/h7-10,14,22H,5-6,11-13H2,1-4H3,(H,21,24)(H,23,25)
InChIKeyUWTQMWIMCYMXLX-UHFFFAOYSA-N
XLogP2.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-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

2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730
2-(ethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116566057
N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 115662245
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide (CID 139298102) is N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide is CCNC(=O)CC(C)(CC)NCCC(C)NC(=O)c1ccccc1F.
What is the InChIKey of N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide?
The InChIKey is UWTQMWIMCYMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O2/c1-5-19(4,13-17(24)21-6-2)22-12-11-14(3)23-18(25)15-9-7-8-10-16(15)20/h7-10,14,22H,5-6,11-13H2,1-4H3,(H,21,24)(H,23,25).
What are the key properties of N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide?
N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide has a molecular weight of 351.47 g/mol, XLogP of 2.62, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(ethylamino)-3-methyl-1-oxopentan-3-yl]amino]butan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 139298102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).