N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide

C10H8ClF2NO3 — CID 2366971

IUPACN-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
SMILESO=C(CCl)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H8ClF2NO3/c11-5-8(15)14-9(16)6-1-3-7(4-2-6)17-10(12)13/h1-4,10H,5H2,(H,14,15,16)
InChIKeyHCJVYXDZZNGMNN-UHFFFAOYSA-N
MW263.63 g/mol
LogP1.78
Rot. Bonds4

About N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide

N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide (PubChem CID 2366971) has the molecular formula C10H8ClF2NO3 and a molecular weight of 263.63 g/mol. Its IUPAC name is N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
PubChem CID2366971
Molecular FormulaC10H8ClF2NO3
Molecular Weight263.63 g/mol
Exact Mass263.02
IUPAC NameN-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
SMILESO=C(CCl)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H8ClF2NO3/c11-5-8(15)14-9(16)6-1-3-7(4-2-6)17-10(12)13/h1-4,10H,5H2,(H,14,15,16)
InChIKeyHCJVYXDZZNGMNN-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.63
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 8018736
N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
CID 114305939
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673348
N-[2-(1-adamantylsulfanyl)acetyl]-4-(difluoromethoxy)benzamide
CID 8513262
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790075
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405088
N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508604
N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide
CID 63284398
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704846

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide (CID 2366971) is N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide is O=C(CCl)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide?
The InChIKey is HCJVYXDZZNGMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO3/c11-5-8(15)14-9(16)6-1-3-7(4-2-6)17-10(12)13/h1-4,10H,5H2,(H,14,15,16).
What are the key properties of N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide?
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide has a molecular weight of 263.63 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 2366971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).