2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide

C14H20BrN3O2 — CID 47069945

IUPAC2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)NC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-4-16-12(19)14(2,3)18-13(20)17-9-10-6-5-7-11(15)8-10/h5-8H,4,9H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyFHBDVLWFTGZADI-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.16
Rot. Bonds5

About 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide

2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide (PubChem CID 47069945) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide
PubChem CID47069945
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)NC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-4-16-12(19)14(2,3)18-13(20)17-9-10-6-5-7-11(15)8-10/h5-8H,4,9H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyFHBDVLWFTGZADI-UHFFFAOYSA-N
XLogP2.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide?
The IUPAC name of 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide (CID 47069945) is 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide is CCNC(=O)C(C)(C)NC(=O)NCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide?
The InChIKey is FHBDVLWFTGZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-4-16-12(19)14(2,3)18-13(20)17-9-10-6-5-7-11(15)8-10/h5-8H,4,9H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide?
2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide has a molecular weight of 342.24 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylcarbamoylamino]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 47069945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).