N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide

C16H16BrNO2 — CID 11838957

IUPACN-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2/c1-11(12-6-8-14(17)9-7-12)18-16(19)13-4-3-5-15(10-13)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeyRDWPKVAFOKMJTK-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.95
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide

N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide (PubChem CID 11838957) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide
PubChem CID11838957
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2/c1-11(12-6-8-14(17)9-7-12)18-16(19)13-4-3-5-15(10-13)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeyRDWPKVAFOKMJTK-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide (CID 11838957) is N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide?
The InChIKey is RDWPKVAFOKMJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11(12-6-8-14(17)9-7-12)18-16(19)13-4-3-5-15(10-13)20-2/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide?
N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide has a molecular weight of 334.21 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 11838957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).