3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide

C14H18BrClN2O — CID 82773843

IUPAC3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
SMILESCC(NCCC(=O)NC1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H18BrClN2O/c1-9(12-5-2-10(15)8-13(12)16)17-7-6-14(19)18-11-3-4-11/h2,5,8-9,11,17H,3-4,6-7H2,1H3,(H,18,19)
InChIKeyVSFJAJWYXYKRON-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.42
Rot. Bonds6

About 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide

3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide (PubChem CID 82773843) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
PubChem CID82773843
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
SMILESCC(NCCC(=O)NC1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H18BrClN2O/c1-9(12-5-2-10(15)8-13(12)16)17-7-6-14(19)18-11-3-4-11/h2,5,8-9,11,17H,3-4,6-7H2,1H3,(H,18,19)
InChIKeyVSFJAJWYXYKRON-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide
CID 79394511
N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
CID 79394410
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
CID 79394248
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 79394985
3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide
CID 103792790
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
CID 55025461
N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
CID 82773914
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide (CID 82773843) is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide is CC(NCCC(=O)NC1CC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide?
The InChIKey is VSFJAJWYXYKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-9(12-5-2-10(15)8-13(12)16)17-7-6-14(19)18-11-3-4-11/h2,5,8-9,11,17H,3-4,6-7H2,1H3,(H,18,19).
What are the key properties of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide?
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide has a molecular weight of 345.67 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 82773843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).