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

C14H20ClFN2O — CID 107990619

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

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

N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide (PubChem CID 107990619) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
PubChem CID107990619
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H20ClFN2O/c1-4-18(9-14(2,3)8-17)13(19)10-5-6-11(15)12(16)7-10/h5-7H,4,8-9,17H2,1-3H3
InChIKeyMVRVGLMJZRZVDS-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)-3-chloro-4-fluoro-N-propylbenzamide
CID 82878831
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82773249
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
CID 79667906
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide
CID 80641264
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide
CID 119656442
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide (CID 107990619) is N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide is CCN(CC(C)(C)CN)C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide?
The InChIKey is MVRVGLMJZRZVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-4-18(9-14(2,3)8-17)13(19)10-5-6-11(15)12(16)7-10/h5-7H,4,8-9,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide?
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-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)-4-chloro-N-ethyl-3-fluorobenzamide is sourced from PubChem (CID 107990619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).