2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide

C14H11ClF2N2O2 — CID 115540029

IUPAC2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H11ClF2N2O2/c15-9-5-3-4-8(12(9)18)13(20)19-10-6-1-2-7-11(10)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyRXGQAFDEGGKWDI-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.78
Rot. Bonds4

About 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide

2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide (PubChem CID 115540029) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
PubChem CID115540029
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H11ClF2N2O2/c15-9-5-3-4-8(12(9)18)13(20)19-10-6-1-2-7-11(10)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyRXGQAFDEGGKWDI-UHFFFAOYSA-N
XLogP3.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
CID 7941475
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
CID 115540166
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
CID 91683152
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide (CID 115540029) is 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide is Nc1c(Cl)cccc1C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide?
The InChIKey is RXGQAFDEGGKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-9-5-3-4-8(12(9)18)13(20)19-10-6-1-2-7-11(10)21-14(16)17/h1-7,14H,18H2,(H,19,20).
What are the key properties of 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide?
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide has a molecular weight of 312.70 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 115540029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).