2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide

C15H20BrN3O2 — CID 4806444

IUPAC2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H20BrN3O2/c16-11-6-8-12(9-7-11)17-10-14(20)19-15(21)18-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10H2,(H2,18,19,20,21)
InChIKeyNBDYFOQPDQWEIL-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.02
Rot. Bonds4

About 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide

2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 4806444) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide
PubChem CID4806444
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H20BrN3O2/c16-11-6-8-12(9-7-11)17-10-14(20)19-15(21)18-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10H2,(H2,18,19,20,21)
InChIKeyNBDYFOQPDQWEIL-UHFFFAOYSA-N
XLogP3.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide (CID 4806444) is 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide is O=C(CNc1ccc(Br)cc1)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is NBDYFOQPDQWEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-11-6-8-12(9-7-11)17-10-14(20)19-15(21)18-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10H2,(H2,18,19,20,21).
What are the key properties of 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide?
2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 354.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 4806444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).