5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide

C12H15BrN2O3 — CID 107907357

IUPAC5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide
SMILESCN(C(=O)CCCCBr)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15BrN2O3/c1-14(12(16)4-2-3-9-13)10-5-7-11(8-6-10)15(17)18/h5-8H,2-4,9H2,1H3
InChIKeyWRHBHKZDPKHCBE-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.12
Rot. Bonds6

About 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide

5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide (PubChem CID 107907357) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide
PubChem CID107907357
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide
SMILESCN(C(=O)CCCCBr)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15BrN2O3/c1-14(12(16)4-2-3-9-13)10-5-7-11(8-6-10)15(17)18/h5-8H,2-4,9H2,1H3
InChIKeyWRHBHKZDPKHCBE-UHFFFAOYSA-N
XLogP3.12
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
CID 28971596
N-methyl-N-(4-nitrophenyl)octanamide
CID 71368131
N,N-bis(4-bromobutyl)-4-nitroaniline
CID 91278445
5-bromo-N-methyl-N-[1-(3-nitrophenyl)ethyl]pentanamide
CID 107910414
3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103910103
N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 41161935
N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 62210857
5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
2-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358
2-[[methyl-(4-nitrophenyl)carbamoyl]amino]acetic acid
CID 43445668
ethyl 4-[2-(N-methyl-4-nitroanilino)-2-oxoethoxy]benzoate
CID 42156725
2-(1,4-diazepan-1-yl)-N-methyl-N-(4-nitrophenyl)acetamide;hydrochloride
CID 119906424

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide?
The IUPAC name of 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide (CID 107907357) is 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide?
The canonical SMILES for 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide is CN(C(=O)CCCCBr)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide?
The InChIKey is WRHBHKZDPKHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-14(12(16)4-2-3-9-13)10-5-7-11(8-6-10)15(17)18/h5-8H,2-4,9H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide?
5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide has a molecular weight of 315.17 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide is sourced from PubChem (CID 107907357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).