N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide

C14H20ClFN2O — CID 79668411

IUPACN-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-4-18(9-14(2,3)8-17)13(19)11-6-5-10(16)7-12(11)15/h5-7H,4,8-9,17H2,1-3H3
InChIKeyKUBGMLRKAMAJBR-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.93
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide

N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide (PubChem CID 79668411) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
PubChem CID79668411
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-4-18(9-14(2,3)8-17)13(19)11-6-5-10(16)7-12(11)15/h5-7H,4,8-9,17H2,1-3H3
InChIKeyKUBGMLRKAMAJBR-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82773249
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
CID 107990619
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 54987417
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide
CID 80641264
2-chloro-4-fluoro-N-propyl-N-prop-2-ynylbenzamide
CID 78970523

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide (CID 79668411) is N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide is CCN(CC(C)(C)CN)C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide?
The InChIKey is KUBGMLRKAMAJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-4-18(9-14(2,3)8-17)13(19)11-6-5-10(16)7-12(11)15/h5-7H,4,8-9,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide has a molecular weight of 286.78 g/mol, XLogP of 2.93, 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-chloro-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 79668411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).