2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide

C10H12ClF2N3O — CID 114384429

IUPAC2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide
SMILESNCC(F)(F)CNc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C10H12ClF2N3O/c11-6-1-2-8(7(3-6)9(15)17)16-5-10(12,13)4-14/h1-3,16H,4-5,14H2,(H2,15,17)
InChIKeyFBCYIXVALLIREE-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.44
Rot. Bonds5

About 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide

2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide (PubChem CID 114384429) has the molecular formula C10H12ClF2N3O and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide
PubChem CID114384429
Molecular FormulaC10H12ClF2N3O
Molecular Weight263.68 g/mol
Exact Mass263.06
IUPAC Name2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide
SMILESNCC(F)(F)CNc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C10H12ClF2N3O/c11-6-1-2-8(7(3-6)9(15)17)16-5-10(12,13)4-14/h1-3,16H,4-5,14H2,(H2,15,17)
InChIKeyFBCYIXVALLIREE-UHFFFAOYSA-N
XLogP1.44
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-carbamoyl-4-chloroanilino)propanoic acid
CID 62492779
2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide
CID 63887425
5-chloro-2-(2,3-dihydroxypropylamino)benzamide
CID 168593745
5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
CID 62495215
4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide
CID 114384441
2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
CID 62500264
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 47409666
5-chloro-2-(4,4,4-trifluorobutylamino)benzoic acid
CID 115520074
5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
CID 141087482
N-(3-amino-2,2-difluoropropyl)-4-chlorobenzamide
CID 114383666

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide?
The IUPAC name of 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide (CID 114384429) is 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide.
What is the SMILES notation for 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide?
The canonical SMILES for 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide is NCC(F)(F)CNc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide?
The InChIKey is FBCYIXVALLIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3O/c11-6-1-2-8(7(3-6)9(15)17)16-5-10(12,13)4-14/h1-3,16H,4-5,14H2,(H2,15,17).
What are the key properties of 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide?
2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide has a molecular weight of 263.68 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide is sourced from PubChem (CID 114384429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).