N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide

C12H13F5N2O — CID 4207479

IUPACN-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCN(C)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5N2O/c1-19(2)5-3-4-18-12(20)6-7(13)9(15)11(17)10(16)8(6)14/h3-5H2,1-2H3,(H,18,20)
InChIKeyWTXYFHPWIISPQJ-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.06
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide

N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide (PubChem CID 4207479) has the molecular formula C12H13F5N2O and a molecular weight of 296.24 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
PubChem CID4207479
Molecular FormulaC12H13F5N2O
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC NameN-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCN(C)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5N2O/c1-19(2)5-3-4-18-12(20)6-7(13)9(15)11(17)10(16)8(6)14/h3-5H2,1-2H3,(H,18,20)
InChIKeyWTXYFHPWIISPQJ-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-azido-N-[3-(dimethylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 101443600
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2-[4-(dimethylamino)butylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429022
N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
CID 90170706
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
CID 154026060
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide (CID 4207479) is N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide is CN(C)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is WTXYFHPWIISPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O/c1-19(2)5-3-4-18-12(20)6-7(13)9(15)11(17)10(16)8(6)14/h3-5H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide?
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 296.24 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 4207479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).