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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Related Compounds

3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)N-hydroxy-5-methylhexanamide
CID 194777
methyl 4-bromo-N-(8-(hydroxyamino)-8-oxooctanoyl)-L-phenylalaninate
CID 23640756
tert-butyl N-[(1S)-2-(4-bromophenyl)-1-[(cyanomethyl)carbamoyl]ethyl]carbamate
CID 11494672
(2S,3S)-3-(4-bromophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895802
(R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarbamoyl-2-phenyl-ethyl)-succinamide
CID 44311335
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
(2S,3S)-2-amino-3-(4-bromophenyl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 10087948
2-(Formyl-hydroxy-amino)-N-[(3-methyl-butylcarbamoyl)-methyl]-3-phenyl-propionamide
CID 20142156
(2S)-2-[(4-bromobenzyl)amino]-N-(cyanomethyl)-4-methylpentanamide
CID 44403029
2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2915482
2-(2-Acetylamino-acetylamino)-3-phenyl-propionamide
CID 3128469
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249

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).