2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide

C14H21BrClN3O — CID 83230961

IUPAC2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
SMILESCCN(CC)CCNC(C(N)=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H21BrClN3O/c1-3-19(4-2)8-7-18-13(14(17)20)10-5-6-12(16)11(15)9-10/h5-6,9,13,18H,3-4,7-8H2,1-2H3,(H2,17,20)
InChIKeyMGJNADDEBLPRLN-UHFFFAOYSA-N
MW362.70 g/mol
LogP2.56
Rot. Bonds8

About 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide

2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide (PubChem CID 83230961) has the molecular formula C14H21BrClN3O and a molecular weight of 362.70 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
PubChem CID83230961
Molecular FormulaC14H21BrClN3O
Molecular Weight362.70 g/mol
Exact Mass361.06
IUPAC Name2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
SMILESCCN(CC)CCNC(C(N)=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H21BrClN3O/c1-3-19(4-2)8-7-18-13(14(17)20)10-5-6-12(16)11(15)9-10/h5-6,9,13,18H,3-4,7-8H2,1-2H3,(H2,17,20)
InChIKeyMGJNADDEBLPRLN-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 61036831
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954
2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide
CID 102840263
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-(2-bromophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 54941562
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61037179
2-(2-chloro-6-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 104816476
2-[2-(diethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684899
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
CID 83229877
2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 106817617

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide (CID 83230961) is 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide is CCN(CC)CCNC(C(N)=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide?
The InChIKey is MGJNADDEBLPRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN3O/c1-3-19(4-2)8-7-18-13(14(17)20)10-5-6-12(16)11(15)9-10/h5-6,9,13,18H,3-4,7-8H2,1-2H3,(H2,17,20).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide?
2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide has a molecular weight of 362.70 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide is sourced from PubChem (CID 83230961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).