3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide

C10H11BrF2N2O2 — CID 114152440

IUPAC3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide
SMILESNc1cc(Br)cc(C(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C10H11BrF2N2O2/c11-7-1-6(2-8(14)3-7)9(17)15-4-10(12,13)5-16/h1-3,16H,4-5,14H2,(H,15,17)
InChIKeyCRFCFIFIGJLDRM-UHFFFAOYSA-N
MW309.11 g/mol
LogP1.39
Rot. Bonds4

About 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide

3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide (PubChem CID 114152440) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide
PubChem CID114152440
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Name3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide
SMILESNc1cc(Br)cc(C(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C10H11BrF2N2O2/c11-7-1-6(2-8(14)3-7)9(17)15-4-10(12,13)5-16/h1-3,16H,4-5,14H2,(H,15,17)
InChIKeyCRFCFIFIGJLDRM-UHFFFAOYSA-N
XLogP1.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
CID 106840118
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
3-amino-5-bromo-N-[(4-ethylphenyl)methyl]benzamide
CID 106899126
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113349822
N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide
CID 114383703
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 106164382
5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
CID 104858028
1-[[(3-amino-5-bromobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450660
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide
CID 106233317

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide (CID 114152440) is 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide is Nc1cc(Br)cc(C(=O)NCC(F)(F)CO)c1.
What is the InChIKey of 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide?
The InChIKey is CRFCFIFIGJLDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c11-7-1-6(2-8(14)3-7)9(17)15-4-10(12,13)5-16/h1-3,16H,4-5,14H2,(H,15,17).
What are the key properties of 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide?
3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide has a molecular weight of 309.11 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide is sourced from PubChem (CID 114152440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).