N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide

C20H26FN3O — CID 42815477

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide
SMILESCCC(C)N(Cc1cc(N)ccc1N(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-5-14(2)24(20(25)15-6-8-17(21)9-7-15)13-16-12-18(22)10-11-19(16)23(3)4/h6-12,14H,5,13,22H2,1-4H3
InChIKeyUQHXWFIFJQDHJG-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.91
Rot. Bonds6

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide (PubChem CID 42815477) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide
PubChem CID42815477
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide
SMILESCCC(C)N(Cc1cc(N)ccc1N(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-5-14(2)24(20(25)15-6-8-17(21)9-7-15)13-16-12-18(22)10-11-19(16)23(3)4/h6-12,14H,5,13,22H2,1-4H3
InChIKeyUQHXWFIFJQDHJG-UHFFFAOYSA-N
XLogP3.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-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-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide
CID 42815503
N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-4-fluoro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93128620
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide
CID 42815492
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide
CID 24712140
N-[4-(dimethylamino)-3-[[(4-fluorobenzoyl)-[(2R)-3-methylbutan-2-yl]amino]methyl]phenyl]-3-fluorobenzamide
CID 93128624
N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 93128356
methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate
CID 119051146
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
N-[[2-(dimethylamino)-5-[(2-methoxyacetyl)amino]phenyl]methyl]-4-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 93128283
N-[3-[[[(2S)-butan-2-yl]-(4-methoxybenzoyl)amino]methyl]-4-(dimethylamino)phenyl]-2-chlorobenzamide
CID 93128214
2-chloro-N-[4-(dimethylamino)-3-[[(4-fluorobenzoyl)-(1-phenylethyl)amino]methyl]phenyl]benzamide
CID 42816527
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide (CID 42815477) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide is CCC(C)N(Cc1cc(N)ccc1N(C)C)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide?
The InChIKey is UQHXWFIFJQDHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-5-14(2)24(20(25)15-6-8-17(21)9-7-15)13-16-12-18(22)10-11-19(16)23(3)4/h6-12,14H,5,13,22H2,1-4H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide has a molecular weight of 343.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide is sourced from PubChem (CID 42815477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).