4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide

C14H18F4N2O — CID 62682783

IUPAC4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H18F4N2O/c1-3-10(4-2)20(8-14(16,17)18)13(21)9-5-6-12(19)11(15)7-9/h5-7,10H,3-4,8,19H2,1-2H3
InChIKeyRRUXINBWVBOFQN-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.60
Rot. Bonds5

About 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide

4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62682783) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62682783
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H18F4N2O/c1-3-10(4-2)20(8-14(16,17)18)13(21)9-5-6-12(19)11(15)7-9/h5-7,10H,3-4,8,19H2,1-2H3
InChIKeyRRUXINBWVBOFQN-UHFFFAOYSA-N
XLogP3.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 63978005
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693779
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61110041
2,5-dibromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 114371576
N-(2-bromoethyl)-3-fluoro-4-methyl-N-pentan-3-ylbenzamide
CID 80670865
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799
5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 61109258

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 62682783) is 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide is CCC(CC)N(CC(F)(F)F)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RRUXINBWVBOFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-3-10(4-2)20(8-14(16,17)18)13(21)9-5-6-12(19)11(15)7-9/h5-7,10H,3-4,8,19H2,1-2H3.
What are the key properties of 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide?
4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 306.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62682783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).