6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide

C14H21ClFNOSi — CID 18630158

IUPAC6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide
SMILESCCN(CC)C(=O)c1c(Cl)ccc(F)c1[Si](C)(C)C
InChIInChI=1S/C14H21ClFNOSi/c1-6-17(7-2)14(18)12-10(15)8-9-11(16)13(12)19(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyPRAUJNZVJJJEDC-UHFFFAOYSA-N
MW301.87 g/mol
LogP3.51
Rot. Bonds4

About 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide

6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide (PubChem CID 18630158) has the molecular formula C14H21ClFNOSi and a molecular weight of 301.87 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide
PubChem CID18630158
Molecular FormulaC14H21ClFNOSi
Molecular Weight301.87 g/mol
Exact Mass301.11
IUPAC Name6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide
SMILESCCN(CC)C(=O)c1c(Cl)ccc(F)c1[Si](C)(C)C
InChIInChI=1S/C14H21ClFNOSi/c1-6-17(7-2)14(18)12-10(15)8-9-11(16)13(12)19(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyPRAUJNZVJJJEDC-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.87
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963
2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
CID 71442782
N,N-diethyl-3-methoxy-6-methyl-2-trimethylsilylbenzamide
CID 15916001
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630
2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide
CID 162421154
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-6-fluorobenzamide
CID 54987662
2-(3-chloro-4-fluoroanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310867
3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78855421
4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
CID 23857395

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide?
The IUPAC name of 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide (CID 18630158) is 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide.
What is the SMILES notation for 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide?
The canonical SMILES for 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide is CCN(CC)C(=O)c1c(Cl)ccc(F)c1[Si](C)(C)C.
What is the InChIKey of 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide?
The InChIKey is PRAUJNZVJJJEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNOSi/c1-6-17(7-2)14(18)12-10(15)8-9-11(16)13(12)19(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide?
6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide has a molecular weight of 301.87 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide is sourced from PubChem (CID 18630158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).