2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide

C17H14ClF2N3O2 — CID 26526071

IUPAC2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CNc2ccc(OC(F)F)c(Cl)c2)cc1
InChIInChI=1S/C17H14ClF2N3O2/c18-14-9-13(5-6-15(14)25-17(19)20)22-10-16(24)23-12-3-1-11(2-4-12)7-8-21/h1-6,9,17,22H,7,10H2,(H,23,24)
InChIKeyLQSGIHNGQKCIAP-UHFFFAOYSA-N
MW365.77 g/mol
LogP4.06
Rot. Bonds7

About 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide

2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 26526071) has the molecular formula C17H14ClF2N3O2 and a molecular weight of 365.77 g/mol. Its IUPAC name is 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID26526071
Molecular FormulaC17H14ClF2N3O2
Molecular Weight365.77 g/mol
Exact Mass365.07
IUPAC Name2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CNc2ccc(OC(F)F)c(Cl)c2)cc1
InChIInChI=1S/C17H14ClF2N3O2/c18-14-9-13(5-6-15(14)25-17(19)20)22-10-16(24)23-12-3-1-11(2-4-12)7-8-21/h1-6,9,17,22H,7,10H2,(H,23,24)
InChIKeyLQSGIHNGQKCIAP-UHFFFAOYSA-N
XLogP4.06
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26508347
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
CID 9103360
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(2-fluorophenyl)acetamide
CID 9103338
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31775100
methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
CID 9103322
N-[4-(cyanomethyl)phenyl]-2-(3-methylanilino)acetamide
CID 51202790
N-(3-chloro-4-cyanophenyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586008
N-[4-(cyanomethyl)phenyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110878874
methyl 3-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]benzoate
CID 36587066
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide (CID 26526071) is 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide is N#CCc1ccc(NC(=O)CNc2ccc(OC(F)F)c(Cl)c2)cc1.
What is the InChIKey of 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is LQSGIHNGQKCIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O2/c18-14-9-13(5-6-15(14)25-17(19)20)22-10-16(24)23-12-3-1-11(2-4-12)7-8-21/h1-6,9,17,22H,7,10H2,(H,23,24).
What are the key properties of 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide?
2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 365.77 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 26526071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).