N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide

C14H19ClF2N2O — CID 82773249

IUPACN-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H19ClF2N2O/c1-4-19(8-14(2,3)7-18)13(20)9-5-12(17)10(15)6-11(9)16/h5-6H,4,7-8,18H2,1-3H3
InChIKeyITLRACVYWXEVGO-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.07
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide

N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide (PubChem CID 82773249) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
PubChem CID82773249
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H19ClF2N2O/c1-4-19(8-14(2,3)7-18)13(20)9-5-12(17)10(15)6-11(9)16/h5-6H,4,7-8,18H2,1-3H3
InChIKeyITLRACVYWXEVGO-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
CID 107990619
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82878831
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 82771632
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide
CID 80641264
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
CID 79668481
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide (CID 82773249) is N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide is CCN(CC(C)(C)CN)C(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
The InChIKey is ITLRACVYWXEVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O/c1-4-19(8-14(2,3)7-18)13(20)9-5-12(17)10(15)6-11(9)16/h5-6H,4,7-8,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide has a molecular weight of 304.77 g/mol, XLogP of 3.07, 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)-4-chloro-N-ethyl-2,5-difluorobenzamide is sourced from PubChem (CID 82773249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).