N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide

C13H17BrClNO — CID 63308093

IUPACN-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
SMILESCC(C)(NC(=O)CCCCl)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrClNO/c1-13(2,16-12(17)4-3-9-15)10-5-7-11(14)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyAPDYGJUGIOTXJO-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide

N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide (PubChem CID 63308093) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
PubChem CID63308093
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
SMILESCC(C)(NC(=O)CCCCl)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrClNO/c1-13(2,16-12(17)4-3-9-15)10-5-7-11(14)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyAPDYGJUGIOTXJO-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.82
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-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
6-[2-(4-bromophenyl)propan-2-ylamino]-6-oxohexanoic acid
CID 60941635
N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
CID 60842935
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide
CID 39613953
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 81076217
N-[2-(4-bromophenyl)propan-2-yl]but-2-enamide
CID 112727841
N-[2-(4-methylphenyl)propan-2-yl]-6,7-dioxoheptanamide
CID 174266948
2-(4-acetamidophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 39614047
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide (CID 63308093) is N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide is CC(C)(NC(=O)CCCCl)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide?
The InChIKey is APDYGJUGIOTXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-13(2,16-12(17)4-3-9-15)10-5-7-11(14)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide?
N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide has a molecular weight of 318.64 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide is sourced from PubChem (CID 63308093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).