N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide

C24H29F6N3O — CID 154663732

IUPACN-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
SMILESNc1c(NC(=O)CCCCCCCC(F)CF)ccc(NCc2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C24H29F6N3O/c25-14-18(26)6-4-2-1-3-5-7-21(34)33-20-13-12-19(22(27)23(20)31)32-15-16-8-10-17(11-9-16)24(28,29)30/h8-13,18,32H,1-7,14-15,31H2,(H,33,34)
InChIKeyBLPHNOWQPZHVTB-UHFFFAOYSA-N
MW489.50 g/mol
LogP7.02
Rot. Bonds13

About N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide

N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide (PubChem CID 154663732) has the molecular formula C24H29F6N3O and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide.

Molecular Properties

Compound NameN-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
PubChem CID154663732
Molecular FormulaC24H29F6N3O
Molecular Weight489.50 g/mol
Exact Mass489.22
IUPAC NameN-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
SMILESNc1c(NC(=O)CCCCCCCC(F)CF)ccc(NCc2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C24H29F6N3O/c25-14-18(26)6-4-2-1-3-5-7-21(34)33-20-13-12-19(22(27)23(20)31)32-15-16-8-10-17(11-9-16)24(28,29)30/h8-13,18,32H,1-7,14-15,31H2,(H,33,34)
InChIKeyBLPHNOWQPZHVTB-UHFFFAOYSA-N
XLogP7.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.50
LogP ≤ 57.02
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-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
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
CID 154663635
N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-4-phenylbutanamide
CID 166970035
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-7-(4-fluorophenyl)heptanamide
CID 154663608
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
ethyl N-[2-amino-3-fluoro-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 146202085
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401
7-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]heptanamide
CID 118721865
3-amino-N-(2-amino-3,4-difluorophenyl)propanamide
CID 110479002

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide?
The IUPAC name of N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide (CID 154663732) is N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide.
What is the SMILES notation for N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide?
The canonical SMILES for N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide is Nc1c(NC(=O)CCCCCCCC(F)CF)ccc(NCc2ccc(C(F)(F)F)cc2)c1F.
What is the InChIKey of N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide?
The InChIKey is BLPHNOWQPZHVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F6N3O/c25-14-18(26)6-4-2-1-3-5-7-21(34)33-20-13-12-19(22(27)23(20)31)32-15-16-8-10-17(11-9-16)24(28,29)30/h8-13,18,32H,1-7,14-15,31H2,(H,33,34).
What are the key properties of N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide?
N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide has a molecular weight of 489.50 g/mol, XLogP of 7.02, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide is sourced from PubChem (CID 154663732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).