4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide

C14H21BrClN3O — CID 107619662

IUPAC4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CC(CN)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H21BrClN3O/c1-3-19(4-2)14(20)8-11(9-17)18-10-5-6-12(15)13(16)7-10/h5-7,11,18H,3-4,8-9,17H2,1-2H3
InChIKeyFQTMCXYKYZKPAZ-UHFFFAOYSA-N
MW362.70 g/mol
LogP3.10
Rot. Bonds7

About 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide

4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide (PubChem CID 107619662) has the molecular formula C14H21BrClN3O and a molecular weight of 362.70 g/mol. Its IUPAC name is 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide
PubChem CID107619662
Molecular FormulaC14H21BrClN3O
Molecular Weight362.70 g/mol
Exact Mass361.06
IUPAC Name4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CC(CN)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H21BrClN3O/c1-3-19(4-2)14(20)8-11(9-17)18-10-5-6-12(15)13(16)7-10/h5-7,11,18H,3-4,8-9,17H2,1-2H3
InChIKeyFQTMCXYKYZKPAZ-UHFFFAOYSA-N
XLogP3.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-bromo-3-chlorophenyl)heptane-1,2-diamine
CID 107619613
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
3-[(4-bromo-3-chlorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107614607
ethyl 3-(4-bromo-3-chloroanilino)-3-oxopropanoate
CID 134123354
2-N-(4-bromo-3-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 107619605
4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline
CID 107619352
4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide
CID 82139155
N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 107619711
4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide
CID 66432895
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 107619443
2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
CID 107619927

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide?
The IUPAC name of 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide (CID 107619662) is 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide.
What is the SMILES notation for 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide?
The canonical SMILES for 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide is CCN(CC)C(=O)CC(CN)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide?
The InChIKey is FQTMCXYKYZKPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN3O/c1-3-19(4-2)14(20)8-11(9-17)18-10-5-6-12(15)13(16)7-10/h5-7,11,18H,3-4,8-9,17H2,1-2H3.
What are the key properties of 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide?
4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide has a molecular weight of 362.70 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide is sourced from PubChem (CID 107619662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).