2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide

C14H19BrClNO — CID 114306423

IUPAC2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
SMILESCCC(CCCl)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrClNO/c1-2-11(6-7-16)10-17-14(18)9-12-4-3-5-13(15)8-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyHOPOZWCCKWCOJL-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.76
Rot. Bonds7

About 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide

2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide (PubChem CID 114306423) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
PubChem CID114306423
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
SMILESCCC(CCCl)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrClNO/c1-2-11(6-7-16)10-17-14(18)9-12-4-3-5-13(15)8-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyHOPOZWCCKWCOJL-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.76
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

N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
CID 114306400
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-bromo-N-(4-chloro-2-ethylbutyl)-3-methylbenzamide
CID 107983971
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542
2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide
CID 114164473
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107362620
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide
CID 114309938

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide (CID 114306423) is 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide is CCC(CCCl)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide?
The InChIKey is HOPOZWCCKWCOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-2-11(6-7-16)10-17-14(18)9-12-4-3-5-13(15)8-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide?
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide has a molecular weight of 332.67 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide is sourced from PubChem (CID 114306423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).