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

C15H22BrClN2O — CID 82774284

IUPAC3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H22BrClN2O/c1-4-10(2)19-15(20)7-8-18-11(3)13-6-5-12(16)9-14(13)17/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyZYDULPQDHCFGHC-UHFFFAOYSA-N
MW361.71 g/mol
LogP4.06
Rot. Bonds7

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

3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide (PubChem CID 82774284) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide
PubChem CID82774284
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H22BrClN2O/c1-4-10(2)19-15(20)7-8-18-11(3)13-6-5-12(16)9-14(13)17/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyZYDULPQDHCFGHC-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 81334397
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 61022567
3-[(5-bromo-2-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 103792629
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613
N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
CID 82773914
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
CID 55025461
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
CID 82773597
3-[(3-bromo-4-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 83236196

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide (CID 82774284) is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNC(C)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide?
The InChIKey is ZYDULPQDHCFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-4-10(2)19-15(20)7-8-18-11(3)13-6-5-12(16)9-14(13)17/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,19,20).
What are the key properties of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide?
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide has a molecular weight of 361.71 g/mol, XLogP of 4.06, 7 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-butan-2-ylpropanamide is sourced from PubChem (CID 82774284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).