N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide

C10H10ClF3N2O — CID 114383783

IUPACN-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
SMILESNCC(F)(F)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H10ClF3N2O/c11-6-2-1-3-7(12)8(6)9(17)16-5-10(13,14)4-15/h1-3H,4-5,15H2,(H,16,17)
InChIKeyAPXRXBUDNXXQAT-UHFFFAOYSA-N
MW266.65 g/mol
LogP1.80
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide

N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide (PubChem CID 114383783) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
PubChem CID114383783
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
SMILESNCC(F)(F)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H10ClF3N2O/c11-6-2-1-3-7(12)8(6)9(17)16-5-10(13,14)4-15/h1-3H,4-5,15H2,(H,16,17)
InChIKeyAPXRXBUDNXXQAT-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745
N-(3-amino-2,2-difluoropropyl)-4-chlorobenzamide
CID 114383666
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
2-chloro-6-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340114
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
CID 114383835
N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
CID 114383601
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
CID 115267344
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide (CID 114383783) is N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide is NCC(F)(F)CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide?
The InChIKey is APXRXBUDNXXQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-6-2-1-3-7(12)8(6)9(17)16-5-10(13,14)4-15/h1-3H,4-5,15H2,(H,16,17).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide?
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide has a molecular weight of 266.65 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 114383783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).