N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide

C24H30F5N3O — CID 154663635

IUPACN-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
SMILESNc1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCCCCCCC(F)CF
InChIInChI=1S/C24H30F5N3O/c25-15-19(26)6-4-2-1-3-5-7-23(33)32-22-13-12-20(14-21(22)30)31-16-17-8-10-18(11-9-17)24(27,28)29/h8-14,19,31H,1-7,15-16,30H2,(H,32,33)
InChIKeyHJCUTAPALRTANI-UHFFFAOYSA-N
MW471.51 g/mol
LogP6.88
Rot. Bonds13

About N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide

N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide (PubChem CID 154663635) has the molecular formula C24H30F5N3O and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide.

Molecular Properties

Compound NameN-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
PubChem CID154663635
Molecular FormulaC24H30F5N3O
Molecular Weight471.51 g/mol
Exact Mass471.23
IUPAC NameN-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
SMILESNc1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCCCCCCC(F)CF
InChIInChI=1S/C24H30F5N3O/c25-15-19(26)6-4-2-1-3-5-7-23(33)32-22-13-12-20(14-21(22)30)31-16-17-8-10-18(11-9-17)24(27,28)29/h8-14,19,31H,1-7,15-16,30H2,(H,32,33)
InChIKeyHJCUTAPALRTANI-UHFFFAOYSA-N
XLogP6.88
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 56.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-7-(4-fluorophenyl)heptanamide
CID 154663608
N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
CID 154663732
N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-7,8-difluorooctanamide
CID 154663641
N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-6,7-difluoroheptanamide
CID 154663757
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide
CID 154663636
N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide
CID 154663601
N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide
CID 10066693
N'-(2-amino-4-tert-butylphenyl)-N-(4-fluorophenyl)heptanediamide
CID 45255100
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401
4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663741
ethyl N-[2-(6-aminohexanoylamino)-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
CID 167224940

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide?
The IUPAC name of N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide (CID 154663635) is N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide.
What is the SMILES notation for N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide?
The canonical SMILES for N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide is Nc1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCCCCCCC(F)CF.
What is the InChIKey of N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide?
The InChIKey is HJCUTAPALRTANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F5N3O/c25-15-19(26)6-4-2-1-3-5-7-23(33)32-22-13-12-20(14-21(22)30)31-16-17-8-10-18(11-9-17)24(27,28)29/h8-14,19,31H,1-7,15-16,30H2,(H,32,33).
What are the key properties of N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide?
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide has a molecular weight of 471.51 g/mol, XLogP of 6.88, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide is sourced from PubChem (CID 154663635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).