N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide

C14H19BrN2O3 — CID 86786988

IUPACN-(2-acetamido-5-bromophenyl)-4-methoxypentanamide
SMILESCOC(C)CCC(=O)Nc1cc(Br)ccc1NC(C)=O
InChIInChI=1S/C14H19BrN2O3/c1-9(20-3)4-7-14(19)17-13-8-11(15)5-6-12(13)16-10(2)18/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZUYUXHNGWDTLJZ-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.16
Rot. Bonds6

About N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide

N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide (PubChem CID 86786988) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-bromophenyl)-4-methoxypentanamide
PubChem CID86786988
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-(2-acetamido-5-bromophenyl)-4-methoxypentanamide
SMILESCOC(C)CCC(=O)Nc1cc(Br)ccc1NC(C)=O
InChIInChI=1S/C14H19BrN2O3/c1-9(20-3)4-7-14(19)17-13-8-11(15)5-6-12(13)16-10(2)18/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZUYUXHNGWDTLJZ-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide?
The IUPAC name of N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide (CID 86786988) is N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide.
What is the SMILES notation for N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide?
The canonical SMILES for N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide is COC(C)CCC(=O)Nc1cc(Br)ccc1NC(C)=O.
What is the InChIKey of N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide?
The InChIKey is ZUYUXHNGWDTLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9(20-3)4-7-14(19)17-13-8-11(15)5-6-12(13)16-10(2)18/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide?
N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide has a molecular weight of 343.22 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide is sourced from PubChem (CID 86786988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).