N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide

C14H20Br2N2O — CID 107940082

IUPACN-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O/c1-4-18(9-14(2,3)8-17)13(19)11-6-5-10(15)7-12(11)16/h5-7H,4,8-9,17H2,1-3H3
InChIKeyVZXFGYAJWKJNMY-UHFFFAOYSA-N
MW392.14 g/mol
LogP3.66
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide (PubChem CID 107940082) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
PubChem CID107940082
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O/c1-4-18(9-14(2,3)8-17)13(19)11-6-5-10(15)7-12(11)16/h5-7H,4,8-9,17H2,1-3H3
InChIKeyVZXFGYAJWKJNMY-UHFFFAOYSA-N
XLogP3.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952088
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
CID 79668481
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2,4-dibromo-N-ethylbenzamide
CID 107940516
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
CID 114263894
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82773249

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide (CID 107940082) is N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide is CCN(CC(C)(C)CN)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide?
The InChIKey is VZXFGYAJWKJNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c1-4-18(9-14(2,3)8-17)13(19)11-6-5-10(15)7-12(11)16/h5-7H,4,8-9,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide has a molecular weight of 392.14 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide is sourced from PubChem (CID 107940082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).