(2R)-2-bromo-N-carbamoyl-3-ethylpentanamide

C8H15BrN2O2 — CID 2402100

IUPAC(2R)-2-bromo-N-carbamoyl-3-ethylpentanamide
SMILESCCC(CC)[C@@H](Br)C(=O)NC(N)=O
InChIInChI=1S/C8H15BrN2O2/c1-3-5(4-2)6(9)7(12)11-8(10)13/h5-6H,3-4H2,1-2H3,(H3,10,11,12,13)/t6-/m1/s1
InChIKeySIUFOOCILGBHQB-ZCFIWIBFSA-N
MW251.12 g/mol
LogP1.38
Rot. Bonds4

About (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide

(2R)-2-bromo-N-carbamoyl-3-ethylpentanamide (PubChem CID 2402100) has the molecular formula C8H15BrN2O2 and a molecular weight of 251.12 g/mol. Its IUPAC name is (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-carbamoyl-3-ethylpentanamide
PubChem CID2402100
Molecular FormulaC8H15BrN2O2
Molecular Weight251.12 g/mol
Exact Mass250.03
IUPAC Name(2R)-2-bromo-N-carbamoyl-3-ethylpentanamide
SMILESCCC(CC)[C@@H](Br)C(=O)NC(N)=O
InChIInChI=1S/C8H15BrN2O2/c1-3-5(4-2)6(9)7(12)11-8(10)13/h5-6H,3-4H2,1-2H3,(H3,10,11,12,13)/t6-/m1/s1
InChIKeySIUFOOCILGBHQB-ZCFIWIBFSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbamoylurea;propane-1,1-diol
CID 174530984
N-carbamoyl-2-methylpropanamide
CID 541584
(2R)-2-amino-N-carbamoylpentanamide
CID 107570048
N-carbamoyl-2-ethylheptanamide
CID 3032098
N-carbamoyl-2-(3-methylpentan-2-ylamino)propanamide
CID 61463420
(2S)-2-bromobutanamide
CID 51414846
3-ethyl-2-(methylamino)pentanamide
CID 61318910
N-carbamoyl-2-(methylamino)propanamide
CID 43086023
N-carbamoyl-2-propan-2-ylhexanamide
CID 175202627
2-amino-N-carbamoylbutanediamide
CID 79194218
(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid
CID 137467884
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide?
The IUPAC name of (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide (CID 2402100) is (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide.
What is the SMILES notation for (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide?
The canonical SMILES for (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide is CCC(CC)[C@@H](Br)C(=O)NC(N)=O.
What is the InChIKey of (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide?
The InChIKey is SIUFOOCILGBHQB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15BrN2O2/c1-3-5(4-2)6(9)7(12)11-8(10)13/h5-6H,3-4H2,1-2H3,(H3,10,11,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide?
(2R)-2-bromo-N-carbamoyl-3-ethylpentanamide has a molecular weight of 251.12 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-carbamoyl-3-ethylpentanamide is sourced from PubChem (CID 2402100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).