2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide

C17H25BrN2O — CID 81288537

IUPAC2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
SMILESCCc1cc(Br)ccc1NCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H25BrN2O/c1-2-13-11-14(18)9-10-16(13)19-12-17(21)20-15-7-5-3-4-6-8-15/h9-11,15,19H,2-8,12H2,1H3,(H,20,21)
InChIKeyFDFJRYDFAKLDHB-UHFFFAOYSA-N
MW353.30 g/mol
LogP4.26
Rot. Bonds5

About 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide

2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide (PubChem CID 81288537) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
PubChem CID81288537
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
SMILESCCc1cc(Br)ccc1NCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H25BrN2O/c1-2-13-11-14(18)9-10-16(13)19-12-17(21)20-15-7-5-3-4-6-8-15/h9-11,15,19H,2-8,12H2,1H3,(H,20,21)
InChIKeyFDFJRYDFAKLDHB-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea
CID 19687726
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
1-(4-bromo-2-ethylphenyl)-3-cyclopentylthiourea
CID 19687737
4-bromo-N-cyclopentyl-2-ethylaniline
CID 81292169
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
2-(4-bromo-2-carbamothioylanilino)-N-cyclopropylacetamide
CID 114891372

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide (CID 81288537) is 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide is CCc1cc(Br)ccc1NCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide?
The InChIKey is FDFJRYDFAKLDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-2-13-11-14(18)9-10-16(13)19-12-17(21)20-15-7-5-3-4-6-8-15/h9-11,15,19H,2-8,12H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide?
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide has a molecular weight of 353.30 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 81288537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).