N-(bromocarbamoyl)pentanamide

C6H11BrN2O2 — CID 101382986

IUPACN-(bromocarbamoyl)pentanamide
SMILESCCCCC(=O)NC(=O)NBr
InChIInChI=1S/C6H11BrN2O2/c1-2-3-4-5(10)8-6(11)9-7/h2-4H2,1H3,(H2,8,9,10,11)
InChIKeyIHHIOGAKHKDQDO-UHFFFAOYSA-N
MW223.07 g/mol
LogP1.31
Rot. Bonds3

About N-(bromocarbamoyl)pentanamide

N-(bromocarbamoyl)pentanamide (PubChem CID 101382986) has the molecular formula C6H11BrN2O2 and a molecular weight of 223.07 g/mol. Its IUPAC name is N-(bromocarbamoyl)pentanamide.

Molecular Properties

Compound NameN-(bromocarbamoyl)pentanamide
PubChem CID101382986
Molecular FormulaC6H11BrN2O2
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC NameN-(bromocarbamoyl)pentanamide
SMILESCCCCC(=O)NC(=O)NBr
InChIInChI=1S/C6H11BrN2O2/c1-2-3-4-5(10)8-6(11)9-7/h2-4H2,1H3,(H2,8,9,10,11)
InChIKeyIHHIOGAKHKDQDO-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(acetylcarbamoyl)pentanamide
CID 57354637
N-decanoyldecanamide
CID 87914075
N-(3-oxobutanoyl)pentanamide
CID 86030828
N-octanoyloctanamide;hydrobromide
CID 175059894
2-(pentanoylamino)prop-2-enoic acid
CID 87954179
(E)-N-[[(E)-octadec-9-enoyl]carbamoyl]octadec-9-enamide
CID 10121222
N-acetylundecanamide
CID 18949728
1-amino-N-pentanoylcyclopentane-1-carboxamide
CID 22172788
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
N-[(hexanoylamino)carbamothioyl]pentanamide
CID 4955659
S-methyl N-hexanoylcarbamothioate
CID 14736947
N-carbamoyloctanamide
CID 24740663

Frequently Asked Questions

What is the IUPAC name of N-(bromocarbamoyl)pentanamide?
The IUPAC name of N-(bromocarbamoyl)pentanamide (CID 101382986) is N-(bromocarbamoyl)pentanamide.
What is the SMILES notation for N-(bromocarbamoyl)pentanamide?
The canonical SMILES for N-(bromocarbamoyl)pentanamide is CCCCC(=O)NC(=O)NBr.
What is the InChIKey of N-(bromocarbamoyl)pentanamide?
The InChIKey is IHHIOGAKHKDQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2O2/c1-2-3-4-5(10)8-6(11)9-7/h2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of N-(bromocarbamoyl)pentanamide?
N-(bromocarbamoyl)pentanamide has a molecular weight of 223.07 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromocarbamoyl)pentanamide is sourced from PubChem (CID 101382986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).