N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide

C15H21BrClNO — CID 106288320

IUPACN-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
SMILESCCC(CC)C(Br)CNC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H21BrClNO/c1-3-12(4-2)14(16)10-18-15(19)9-11-6-5-7-13(17)8-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyDWTPQHDZKMEUMY-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.20
Rot. Bonds7

About N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide

N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide (PubChem CID 106288320) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
PubChem CID106288320
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC NameN-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
SMILESCCC(CC)C(Br)CNC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H21BrClNO/c1-3-12(4-2)14(16)10-18-15(19)9-11-6-5-7-13(17)8-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyDWTPQHDZKMEUMY-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.20
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-(3-chlorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658434
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
CID 106288395
N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
CID 114315718
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
CID 62668200
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
4-amino-1-(3-chlorophenyl)hexan-2-one
CID 116609053
N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
CID 106143575
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide (CID 106288320) is N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide is CCC(CC)C(Br)CNC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide?
The InChIKey is DWTPQHDZKMEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-3-12(4-2)14(16)10-18-15(19)9-11-6-5-7-13(17)8-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide?
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide has a molecular weight of 346.70 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 106288320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).