3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide

C14H11BrF2N2O2 — CID 61093967

IUPAC3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESNc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1Br
InChIInChI=1S/C14H11BrF2N2O2/c15-11-6-1-8(7-12(11)18)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyFGCFDMBYEUHHPJ-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.88
Rot. Bonds4

About 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide

3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide (PubChem CID 61093967) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide
PubChem CID61093967
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESNc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1Br
InChIInChI=1S/C14H11BrF2N2O2/c15-11-6-1-8(7-12(11)18)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyFGCFDMBYEUHHPJ-UHFFFAOYSA-N
XLogP3.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.88
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

3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 43328663
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
6-amino-N-[4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62154747
3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 107951563
2-amino-N-[4-(difluoromethoxy)phenyl]-5-hydroxybenzamide
CID 107073991
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
2-bromo-N-[4-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 9273476
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide (CID 61093967) is 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide is Nc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide?
The InChIKey is FGCFDMBYEUHHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-11-6-1-8(7-12(11)18)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20).
What are the key properties of 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide?
3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide has a molecular weight of 357.15 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 61093967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).