2-bromo-N-(3-chlorophenyl)pentanamide

C11H13BrClNO — CID 19256824

IUPAC2-bromo-N-(3-chlorophenyl)pentanamide
SMILESCCCC(Br)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H13BrClNO/c1-2-4-10(12)11(15)14-9-6-3-5-8(13)7-9/h3,5-7,10H,2,4H2,1H3,(H,14,15)
InChIKeyHEEFPMUTOPXEII-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.84
Rot. Bonds4

About 2-bromo-N-(3-chlorophenyl)pentanamide

2-bromo-N-(3-chlorophenyl)pentanamide (PubChem CID 19256824) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 2-bromo-N-(3-chlorophenyl)pentanamide.

Molecular Properties

Compound Name2-bromo-N-(3-chlorophenyl)pentanamide
PubChem CID19256824
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name2-bromo-N-(3-chlorophenyl)pentanamide
SMILESCCCC(Br)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H13BrClNO/c1-2-4-10(12)11(15)14-9-6-3-5-8(13)7-9/h3,5-7,10H,2,4H2,1H3,(H,14,15)
InChIKeyHEEFPMUTOPXEII-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-phenylpentanamide
CID 56980184
N-(3-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926784
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-propylazanium
CID 2412456
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122
2-[2-(3-chloroanilino)-2-oxoethyl]pentanoic acid
CID 112517515
2-(butylamino)-N-(3-chlorophenyl)propanamide
CID 3069643
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
ethyl 2-[(3-chlorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537666
3-(aminomethyl)-N-(3-chlorophenyl)hexanamide
CID 112516422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-chlorophenyl)pentanamide?
The IUPAC name of 2-bromo-N-(3-chlorophenyl)pentanamide (CID 19256824) is 2-bromo-N-(3-chlorophenyl)pentanamide.
What is the SMILES notation for 2-bromo-N-(3-chlorophenyl)pentanamide?
The canonical SMILES for 2-bromo-N-(3-chlorophenyl)pentanamide is CCCC(Br)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-bromo-N-(3-chlorophenyl)pentanamide?
The InChIKey is HEEFPMUTOPXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-2-4-10(12)11(15)14-9-6-3-5-8(13)7-9/h3,5-7,10H,2,4H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(3-chlorophenyl)pentanamide?
2-bromo-N-(3-chlorophenyl)pentanamide has a molecular weight of 290.59 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-chlorophenyl)pentanamide is sourced from PubChem (CID 19256824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).