N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide

C14H11BrF2N2O2 — CID 43549460

IUPACN-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
SMILESNc1ccc(NC(=O)c2cccc(OC(F)F)c2)c(Br)c1
InChIInChI=1S/C14H11BrF2N2O2/c15-11-7-9(18)4-5-12(11)19-13(20)8-2-1-3-10(6-8)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyPBRQGSBZIPMALT-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.88
Rot. Bonds4

About N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide

N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide (PubChem CID 43549460) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
PubChem CID43549460
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC NameN-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
SMILESNc1ccc(NC(=O)c2cccc(OC(F)F)c2)c(Br)c1
InChIInChI=1S/C14H11BrF2N2O2/c15-11-7-9(18)4-5-12(11)19-13(20)8-2-1-3-10(6-8)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyPBRQGSBZIPMALT-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

N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
N-(4-amino-2-bromophenyl)-3-hydroxybenzamide
CID 43549560
N-(4-amino-2-bromophenyl)-3,5-dimethoxybenzamide
CID 43549583
N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
CID 103766634
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
CID 62919110
4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide
CID 56785873
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
CID 7945561
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
CID 43549544
N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 79736322

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide (CID 43549460) is N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide is Nc1ccc(NC(=O)c2cccc(OC(F)F)c2)c(Br)c1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide?
The InChIKey is PBRQGSBZIPMALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-11-7-9(18)4-5-12(11)19-13(20)8-2-1-3-10(6-8)21-14(16)17/h1-7,14H,18H2,(H,19,20).
What are the key properties of N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide?
N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)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 N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 43549460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).