4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide

C11H15F2N3O — CID 114384441

IUPAC4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide
SMILESCc1cc(NCC(F)(F)CN)ccc1C(N)=O
InChIInChI=1S/C11H15F2N3O/c1-7-4-8(2-3-9(7)10(15)17)16-6-11(12,13)5-14/h2-4,16H,5-6,14H2,1H3,(H2,15,17)
InChIKeyHGBNXCOLGVQUFK-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.10
Rot. Bonds5

About 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide

4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide (PubChem CID 114384441) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide
PubChem CID114384441
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide
SMILESCc1cc(NCC(F)(F)CN)ccc1C(N)=O
InChIInChI=1S/C11H15F2N3O/c1-7-4-8(2-3-9(7)10(15)17)16-6-11(12,13)5-14/h2-4,16H,5-6,14H2,1H3,(H2,15,17)
InChIKeyHGBNXCOLGVQUFK-UHFFFAOYSA-N
XLogP1.10
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2,2,2-trifluoroethylamino)benzenecarbothioamide
CID 81278451
4-[2-(ethylamino)ethylamino]-2-methylbenzamide
CID 81279586
4-(3-aminobutylamino)-2-methylbenzamide
CID 81279593
3-(4-carbamoyl-3-methylanilino)-3-methylbutanoic acid
CID 81273843
4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
CID 114384265
2,2-difluoro-N'-(4-methyl-3-nitrophenyl)propane-1,3-diamine
CID 114384276
2-methyl-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 81281565
2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide
CID 114384429
1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433360
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333
4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056
4-(4-carbamoyl-3-methylanilino)-3-methylbutanoic acid
CID 81273308

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide?
The IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide (CID 114384441) is 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide.
What is the SMILES notation for 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide?
The canonical SMILES for 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide is Cc1cc(NCC(F)(F)CN)ccc1C(N)=O.
What is the InChIKey of 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide?
The InChIKey is HGBNXCOLGVQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-7-4-8(2-3-9(7)10(15)17)16-6-11(12,13)5-14/h2-4,16H,5-6,14H2,1H3,(H2,15,17).
What are the key properties of 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide?
4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide has a molecular weight of 243.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-difluoropropyl)amino]-2-methylbenzamide is sourced from PubChem (CID 114384441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).