2-amino-N-(3-amino-2,2-difluoropropyl)benzamide

C10H13F2N3O — CID 122081037

IUPAC2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
SMILESNCC(F)(F)CNC(=O)c1ccccc1N
InChIInChI=1S/C10H13F2N3O/c11-10(12,5-13)6-15-9(16)7-3-1-2-4-8(7)14/h1-4H,5-6,13-14H2,(H,15,16)
InChIKeyPERKDLGNISZSRC-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.59
Rot. Bonds4

About 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide

2-amino-N-(3-amino-2,2-difluoropropyl)benzamide (PubChem CID 122081037) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
PubChem CID122081037
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
SMILESNCC(F)(F)CNC(=O)c1ccccc1N
InChIInChI=1S/C10H13F2N3O/c11-10(12,5-13)6-15-9(16)7-3-1-2-4-8(7)14/h1-4H,5-6,13-14H2,(H,15,16)
InChIKeyPERKDLGNISZSRC-UHFFFAOYSA-N
XLogP0.59
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
N-(3-amino-2,2-difluoropropyl)-2-iodobenzamide
CID 114383668
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
CID 114383835
N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
CID 107956309
N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114383719
3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174920
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide
CID 114383383
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide (CID 122081037) is 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide is NCC(F)(F)CNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide?
The InChIKey is PERKDLGNISZSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12,5-13)6-15-9(16)7-3-1-2-4-8(7)14/h1-4H,5-6,13-14H2,(H,15,16).
What are the key properties of 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide?
2-amino-N-(3-amino-2,2-difluoropropyl)benzamide has a molecular weight of 229.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2,2-difluoropropyl)benzamide is sourced from PubChem (CID 122081037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).