4-amino-3-[2-(difluoromethoxy)anilino]benzamide

C14H13F2N3O2 — CID 63355916

IUPAC4-amino-3-[2-(difluoromethoxy)anilino]benzamide
SMILESNC(=O)c1ccc(N)c(Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H13F2N3O2/c15-14(16)21-12-4-2-1-3-10(12)19-11-7-8(13(18)20)5-6-9(11)17/h1-7,14,19H,17H2,(H2,18,20)
InChIKeyHGJKUUPLTFZHFB-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.71
Rot. Bonds5

About 4-amino-3-[2-(difluoromethoxy)anilino]benzamide

4-amino-3-[2-(difluoromethoxy)anilino]benzamide (PubChem CID 63355916) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 4-amino-3-[2-(difluoromethoxy)anilino]benzamide.

Molecular Properties

Compound Name4-amino-3-[2-(difluoromethoxy)anilino]benzamide
PubChem CID63355916
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name4-amino-3-[2-(difluoromethoxy)anilino]benzamide
SMILESNC(=O)c1ccc(N)c(Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H13F2N3O2/c15-14(16)21-12-4-2-1-3-10(12)19-11-7-8(13(18)20)5-6-9(11)17/h1-7,14,19H,17H2,(H2,18,20)
InChIKeyHGJKUUPLTFZHFB-UHFFFAOYSA-N
XLogP2.71
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-bromoanilino)benzamide
CID 55191226
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine
CID 43329050
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
CID 63593633
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
4-amino-3-(2,6-dibromoanilino)benzamide
CID 107596524
4-amino-3-(2,6-dichloroanilino)benzamide
CID 65468318
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781439
4-amino-3-(3-iodoanilino)benzamide
CID 63355912
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(difluoromethoxy)anilino]benzamide?
The IUPAC name of 4-amino-3-[2-(difluoromethoxy)anilino]benzamide (CID 63355916) is 4-amino-3-[2-(difluoromethoxy)anilino]benzamide.
What is the SMILES notation for 4-amino-3-[2-(difluoromethoxy)anilino]benzamide?
The canonical SMILES for 4-amino-3-[2-(difluoromethoxy)anilino]benzamide is NC(=O)c1ccc(N)c(Nc2ccccc2OC(F)F)c1.
What is the InChIKey of 4-amino-3-[2-(difluoromethoxy)anilino]benzamide?
The InChIKey is HGJKUUPLTFZHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c15-14(16)21-12-4-2-1-3-10(12)19-11-7-8(13(18)20)5-6-9(11)17/h1-7,14,19H,17H2,(H2,18,20).
What are the key properties of 4-amino-3-[2-(difluoromethoxy)anilino]benzamide?
4-amino-3-[2-(difluoromethoxy)anilino]benzamide has a molecular weight of 293.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(difluoromethoxy)anilino]benzamide is sourced from PubChem (CID 63355916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).