N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide

C16H26FN3O — CID 62660721

IUPACN-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC(C)CCN(C)C
InChIInChI=1S/C16H26FN3O/c1-5-10-18-15-13(7-6-8-14(15)17)16(21)19-12(2)9-11-20(3)4/h6-8,12,18H,5,9-11H2,1-4H3,(H,19,21)
InChIKeyKFETWNRHNMPBOV-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.72
Rot. Bonds8

About N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide

N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide (PubChem CID 62660721) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
PubChem CID62660721
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC(C)CCN(C)C
InChIInChI=1S/C16H26FN3O/c1-5-10-18-15-13(7-6-8-14(15)17)16(21)19-12(2)9-11-20(3)4/h6-8,12,18H,5,9-11H2,1-4H3,(H,19,21)
InChIKeyKFETWNRHNMPBOV-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)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-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 62662634
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385716
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318
3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide
CID 62649253
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide (CID 62660721) is N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)NC(C)CCN(C)C.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide?
The InChIKey is KFETWNRHNMPBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-5-10-18-15-13(7-6-8-14(15)17)16(21)19-12(2)9-11-20(3)4/h6-8,12,18H,5,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide?
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide has a molecular weight of 295.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide is sourced from PubChem (CID 62660721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).