5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide

C13H16ClF3N2O — CID 63227613

IUPAC5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C13H16ClF3N2O/c1-2-6-18-11-4-3-9(14)8-10(11)12(20)19-7-5-13(15,16)17/h3-4,8,18H,2,5-7H2,1H3,(H,19,20)
InChIKeyCDASYHMAVRDWBN-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.84
Rot. Bonds6

About 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide

5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 63227613) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID63227613
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C13H16ClF3N2O/c1-2-6-18-11-4-3-9(14)8-10(11)12(20)19-7-5-13(15,16)17/h3-4,8,18H,2,5-7H2,1H3,(H,19,20)
InChIKeyCDASYHMAVRDWBN-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169913
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide
CID 106098354
5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 65236480
5-chloro-2-(4,4,4-trifluorobutylamino)benzoic acid
CID 115520074
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965
5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
CID 64524778
5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62185051
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide (CID 63227613) is 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide is CCCNc1ccc(Cl)cc1C(=O)NCCC(F)(F)F.
What is the InChIKey of 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is CDASYHMAVRDWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-2-6-18-11-4-3-9(14)8-10(11)12(20)19-7-5-13(15,16)17/h3-4,8,18H,2,5-7H2,1H3,(H,19,20).
What are the key properties of 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide?
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 308.73 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 63227613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).