N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide

C12H15BrClNO — CID 53268191

IUPACN-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
SMILESCCc1ccc(NC(=O)CCCCl)c(Br)c1
InChIInChI=1S/C12H15BrClNO/c1-2-9-5-6-11(10(13)8-9)15-12(16)4-3-7-14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyOFJPORZXDMJKPF-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.97
Rot. Bonds5

About N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide

N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide (PubChem CID 53268191) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
PubChem CID53268191
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
SMILESCCc1ccc(NC(=O)CCCCl)c(Br)c1
InChIInChI=1S/C12H15BrClNO/c1-2-9-5-6-11(10(13)8-9)15-12(16)4-3-7-14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyOFJPORZXDMJKPF-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.97
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-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
ethyl 3-bromo-4-(4-chlorobutanoylamino)benzoate
CID 55204822
N-(2-bromo-4-ethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 53268011
4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
2-(3-chloropropanoylamino)-5-ethylbenzoic acid
CID 110465745
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(2-bromo-4-tert-butylphenyl)-3-chloropropanamide
CID 53268048
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide (CID 53268191) is N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide is CCc1ccc(NC(=O)CCCCl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide?
The InChIKey is OFJPORZXDMJKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-2-9-5-6-11(10(13)8-9)15-12(16)4-3-7-14/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide?
N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide has a molecular weight of 304.62 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide is sourced from PubChem (CID 53268191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).