2-(4-bromo-3-chloroanilino)-N-ethylacetamide

C10H12BrClN2O — CID 103823383

IUPAC2-(4-bromo-3-chloroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H12BrClN2O/c1-2-13-10(15)6-14-7-3-4-8(11)9(12)5-7/h3-5,14H,2,6H2,1H3,(H,13,15)
InChIKeyFJMGKNWQPPQFFS-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.65
Rot. Bonds4

About 2-(4-bromo-3-chloroanilino)-N-ethylacetamide

2-(4-bromo-3-chloroanilino)-N-ethylacetamide (PubChem CID 103823383) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 2-(4-bromo-3-chloroanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3-chloroanilino)-N-ethylacetamide
PubChem CID103823383
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name2-(4-bromo-3-chloroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H12BrClN2O/c1-2-13-10(15)6-14-7-3-4-8(11)9(12)5-7/h3-5,14H,2,6H2,1H3,(H,13,15)
InChIKeyFJMGKNWQPPQFFS-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 107619813
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
2-(3-aminoanilino)-N-ethylacetamide
CID 43566786
ethyl 3-(4-bromo-3-chloroanilino)-3-oxopropanoate
CID 134123354
3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103841455
2-(4-bromo-3-fluoroanilino)-N-butylacetamide
CID 65437727
2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide
CID 60671364
2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
CID 87029646
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloroanilino)-N-ethylacetamide?
The IUPAC name of 2-(4-bromo-3-chloroanilino)-N-ethylacetamide (CID 103823383) is 2-(4-bromo-3-chloroanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(4-bromo-3-chloroanilino)-N-ethylacetamide?
The canonical SMILES for 2-(4-bromo-3-chloroanilino)-N-ethylacetamide is CCNC(=O)CNc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chloroanilino)-N-ethylacetamide?
The InChIKey is FJMGKNWQPPQFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-2-13-10(15)6-14-7-3-4-8(11)9(12)5-7/h3-5,14H,2,6H2,1H3,(H,13,15).
What are the key properties of 2-(4-bromo-3-chloroanilino)-N-ethylacetamide?
2-(4-bromo-3-chloroanilino)-N-ethylacetamide has a molecular weight of 291.58 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloroanilino)-N-ethylacetamide is sourced from PubChem (CID 103823383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).