4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide

C11H13F2N3O2 — CID 63185530

IUPAC4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H13F2N3O2/c1-15-9(17)2-3-16-11(18)6-4-7(12)10(14)8(13)5-6/h4-5H,2-3,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyBDXIJIYIYDKRQN-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.41
Rot. Bonds4

About 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide

4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 63185530) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID63185530
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H13F2N3O2/c1-15-9(17)2-3-16-11(18)6-4-7(12)10(14)8(13)5-6/h4-5H,2-3,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyBDXIJIYIYDKRQN-UHFFFAOYSA-N
XLogP0.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]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

2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide
CID 155067191
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415
3-[2-fluoro-4-[[3-(methylamino)-3-oxopropyl]carbamoyl]phenyl]prop-2-enoic acid
CID 76927128
3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide
CID 134581007
5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide
CID 59290096
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104765666
4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide
CID 103464640
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 63185587

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 63185530) is 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCNC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is BDXIJIYIYDKRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-15-9(17)2-3-16-11(18)6-4-7(12)10(14)8(13)5-6/h4-5H,2-3,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide?
4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 257.24 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 63185530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).