N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C14H19BrN2O3 — CID 127041512

IUPACN-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccc(Br)cc1)C(=O)NO
InChIInChI=1S/C14H19BrN2O3/c1-14(2,3)13(19)16-11(12(18)17-20)8-9-4-6-10(15)7-5-9/h4-7,11,20H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCMKKIEWVWXTANS-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.03
Rot. Bonds4

About N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 127041512) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID127041512
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccc(Br)cc1)C(=O)NO
InChIInChI=1S/C14H19BrN2O3/c1-14(2,3)13(19)16-11(12(18)17-20)8-9-4-6-10(15)7-5-9/h4-7,11,20H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCMKKIEWVWXTANS-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 127041512) is N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(Cc1ccc(Br)cc1)C(=O)NO.
What is the InChIKey of N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is CMKKIEWVWXTANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-14(2,3)13(19)16-11(12(18)17-20)8-9-4-6-10(15)7-5-9/h4-7,11,20H,8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 343.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 127041512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).