N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide

C17H16F4N2O — CID 75418468

IUPACN-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide
SMILESCN(C)CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C17H16F4N2O/c1-22(2)8-9-23(11-6-4-3-5-7-11)17(24)12-10-13(18)15(20)16(21)14(12)19/h3-7,10H,8-9H2,1-2H3
InChIKeyQTXMMJWNBVCOIE-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.45
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide

N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide (PubChem CID 75418468) has the molecular formula C17H16F4N2O and a molecular weight of 340.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide
PubChem CID75418468
Molecular FormulaC17H16F4N2O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide
SMILESCN(C)CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C17H16F4N2O/c1-22(2)8-9-23(11-6-4-3-5-7-11)17(24)12-10-13(18)15(20)16(21)14(12)19/h3-7,10H,8-9H2,1-2H3
InChIKeyQTXMMJWNBVCOIE-UHFFFAOYSA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid
CID 154868381
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride
CID 120645559
N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
CID 62648465
N-[2-(dimethylamino)ethyl]-3,4-dinitro-N-phenylbenzamide
CID 54488219
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
1-[2-(dimethylamino)ethyl]-1-methyl-3-[(2,3,4,5-tetrafluorophenyl)methyl]urea
CID 122560896
boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene
CID 161264040
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
CID 63049276
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide (CID 75418468) is N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide is CN(C)CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide?
The InChIKey is QTXMMJWNBVCOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O/c1-22(2)8-9-23(11-6-4-3-5-7-11)17(24)12-10-13(18)15(20)16(21)14(12)19/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide?
N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide has a molecular weight of 340.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,3,4,5-tetrafluoro-N-phenylbenzamide is sourced from PubChem (CID 75418468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).