4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide

C14H20F3N3O — CID 80698083

IUPAC4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide
SMILESCCCCC(CN)Nc1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c1-2-3-4-10(8-18)20-9-5-6-11(13(19)21)12(7-9)14(15,16)17/h5-7,10,20H,2-4,8,18H2,1H3,(H2,19,21)
InChIKeyLGAMOHANRDWNFE-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.73
Rot. Bonds7

About 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide

4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide (PubChem CID 80698083) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide
PubChem CID80698083
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide
SMILESCCCCC(CN)Nc1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c1-2-3-4-10(8-18)20-9-5-6-11(13(19)21)12(7-9)14(15,16)17/h5-7,10,20H,2-4,8,18H2,1H3,(H2,19,21)
InChIKeyLGAMOHANRDWNFE-UHFFFAOYSA-N
XLogP2.73
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminohexan-2-ylamino)benzamide
CID 80698151
2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
CID 43320600
4-(pentylamino)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320786
4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
CID 115302961
4-(hex-1-yn-3-ylamino)-2-(trifluoromethyl)benzoic acid
CID 106232974
N-[4-carbamothioyl-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 65483189
4-(2-butoxyethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709477
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzamide
CID 103976783
2-chloro-4-(octan-4-ylamino)benzenecarbothioamide
CID 106023844
2-[4-carbamothioyl-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 61467852
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-(trifluoromethyl)benzoic acid
CID 106162705
2-N-(3-bromophenyl)hexane-1,2-diamine
CID 65377694

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide (CID 80698083) is 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide is CCCCC(CN)Nc1ccc(C(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide?
The InChIKey is LGAMOHANRDWNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-3-4-10(8-18)20-9-5-6-11(13(19)21)12(7-9)14(15,16)17/h5-7,10,20H,2-4,8,18H2,1H3,(H2,19,21).
What are the key properties of 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide?
4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide has a molecular weight of 303.33 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 80698083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).