2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide

C10H9BrF3IN2O — CID 114259830

IUPAC2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cc(I)ccc1Br)C(F)(F)F
InChIInChI=1S/C10H9BrF3IN2O/c1-9(16,10(12,13)14)8(18)17-7-4-5(15)2-3-6(7)11/h2-4H,16H2,1H3,(H,17,18)
InChIKeyGKVSQWQYLSPMPE-UHFFFAOYSA-N
MW437.00 g/mol
LogP3.27
Rot. Bonds2

About 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 114259830) has the molecular formula C10H9BrF3IN2O and a molecular weight of 437.00 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID114259830
Molecular FormulaC10H9BrF3IN2O
Molecular Weight437.00 g/mol
Exact Mass435.89
IUPAC Name2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cc(I)ccc1Br)C(F)(F)F
InChIInChI=1S/C10H9BrF3IN2O/c1-9(16,10(12,13)14)8(18)17-7-4-5(15)2-3-6(7)11/h2-4H,16H2,1H3,(H,17,18)
InChIKeyGKVSQWQYLSPMPE-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.00
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide
CID 130987362
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-bromobenzoic acid
CID 107813530
2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
CID 114259858
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386
N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
CID 130674064
2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797089
2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811706
2-[(2-bromo-5-iodophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114260774
3-[(2-amino-2-methylpropanoyl)amino]-4-bromobenzoic acid
CID 107813574
2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796967
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-fluorobenzoic acid
CID 79811676
2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811031

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide (CID 114259830) is 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1cc(I)ccc1Br)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is GKVSQWQYLSPMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3IN2O/c1-9(16,10(12,13)14)8(18)17-7-4-5(15)2-3-6(7)11/h2-4H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 437.00 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 114259830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).