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

C10H11ClF2N2O — CID 114383601

IUPACN-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
SMILESNCC(F)(F)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClF2N2O/c11-8-3-1-2-7(4-8)9(16)15-6-10(12,13)5-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyBCGAMEFPQSOMQQ-UHFFFAOYSA-N
MW248.66 g/mol
LogP1.66
Rot. Bonds4

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

N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide (PubChem CID 114383601) has the molecular formula C10H11ClF2N2O and a molecular weight of 248.66 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
PubChem CID114383601
Molecular FormulaC10H11ClF2N2O
Molecular Weight248.66 g/mol
Exact Mass248.05
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
SMILESNCC(F)(F)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClF2N2O/c11-8-3-1-2-7(4-8)9(16)15-6-10(12,13)5-14/h1-4H,5-6,14H2,(H,15,16)
InChIKeyBCGAMEFPQSOMQQ-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide 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

N-(3-amino-2,2-difluoropropyl)-3-hydroxybenzamide
CID 114383539
N-(3-amino-2,2-difluoropropyl)-4-chlorobenzamide
CID 114383666
N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide
CID 114383418
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide
CID 106254903
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
CID 114383835
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide
CID 39347226
N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide
CID 114383634

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide (CID 114383601) is N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide is NCC(F)(F)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide?
The InChIKey is BCGAMEFPQSOMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O/c11-8-3-1-2-7(4-8)9(16)15-6-10(12,13)5-14/h1-4H,5-6,14H2,(H,15,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide?
N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide has a molecular weight of 248.66 g/mol, XLogP of 1.66, 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)-3-chlorobenzamide is sourced from PubChem (CID 114383601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).