N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide

C14H20Cl2N2O2 — CID 119655324

IUPACN-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H20Cl2N2O2/c1-14(2,7-17)8-18(3)13(19)9-5-10(15)11(16)6-12(9)20-4/h5-6H,7-8,17H2,1-4H3
InChIKeyYCZVTWXVBUGFGQ-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.06
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide (PubChem CID 119655324) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide
PubChem CID119655324
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H20Cl2N2O2/c1-14(2,7-17)8-18(3)13(19)9-5-10(15)11(16)6-12(9)20-4/h5-6H,7-8,17H2,1-4H3
InChIKeyYCZVTWXVBUGFGQ-UHFFFAOYSA-N
XLogP3.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide
CID 119652893
N-(3-amino-2,2-dimethylpropyl)-2-chloro-4-iodo-N-methylbenzamide;hydrochloride
CID 119654041
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
N-(3-amino-2,2-dimethylpropyl)-2-(5-chloro-2-methoxyphenyl)-N-methylacetamide
CID 119652426
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
N-(3-amino-2,2-dimethylpropyl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119653819
N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119656792
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide (CID 119655324) is N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide is COc1cc(Cl)c(Cl)cc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide?
The InChIKey is YCZVTWXVBUGFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-14(2,7-17)8-18(3)13(19)9-5-10(15)11(16)6-12(9)20-4/h5-6H,7-8,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide has a molecular weight of 319.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 119655324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).