4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

C14H22FN3O — CID 106033010

IUPAC4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H22FN3O/c1-10(2)18(3)8-4-7-17-14(19)12-6-5-11(16)9-13(12)15/h5-6,9-10H,4,7-8,16H2,1-3H3,(H,17,19)
InChIKeyZDDHCOMRFFYMDK-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.87
Rot. Bonds6

About 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (PubChem CID 106033010) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
PubChem CID106033010
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H22FN3O/c1-10(2)18(3)8-4-7-17-14(19)12-6-5-11(16)9-13(12)15/h5-6,9-10H,4,7-8,16H2,1-3H3,(H,17,19)
InChIKeyZDDHCOMRFFYMDK-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide
CID 106040669
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106033015
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
CID 113409457
2-bromo-5-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 81002289
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The IUPAC name of 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (CID 106033010) is 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide is CC(C)N(C)CCCNC(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The InChIKey is ZDDHCOMRFFYMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(2)18(3)8-4-7-17-14(19)12-6-5-11(16)9-13(12)15/h5-6,9-10H,4,7-8,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide has a molecular weight of 267.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 106033010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).