N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide

C15H22ClFN2O — CID 82878831

IUPACN-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFN2O/c1-4-7-19(10-15(2,3)9-18)14(20)11-5-6-13(17)12(16)8-11/h5-6,8H,4,7,9-10,18H2,1-3H3
InChIKeyIHCMEKLOTLJJBE-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.32
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide

N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide (PubChem CID 82878831) has the molecular formula C15H22ClFN2O and a molecular weight of 300.81 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
PubChem CID82878831
Molecular FormulaC15H22ClFN2O
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFN2O/c1-4-7-19(10-15(2,3)9-18)14(20)11-5-6-13(17)12(16)8-11/h5-6,8H,4,7,9-10,18H2,1-3H3
InChIKeyIHCMEKLOTLJJBE-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
CID 107990619
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631
N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
N-(3-amino-2,2-dimethylpropyl)-2-bromo-6-fluoro-N-propylbenzamide
CID 114560250
N-(3-amino-2,2-dimethylpropyl)-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 79667847
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide
CID 79667920
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82773249
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448
N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide
CID 113439418

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide (CID 82878831) is N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide is CCCN(CC(C)(C)CN)C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide?
The InChIKey is IHCMEKLOTLJJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-4-7-19(10-15(2,3)9-18)14(20)11-5-6-13(17)12(16)8-11/h5-6,8H,4,7,9-10,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide has a molecular weight of 300.81 g/mol, XLogP of 3.32, 6 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)-3-chloro-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 82878831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).