2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide

C13H18ClFN2O — CID 17144545

IUPAC2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-3-17(4-2)8-7-16-13(18)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyMIHMIGVOBXYRFJ-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.55
Rot. Bonds6

About 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide

2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide (PubChem CID 17144545) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
PubChem CID17144545
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-3-17(4-2)8-7-16-13(18)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyMIHMIGVOBXYRFJ-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide (CID 17144545) is 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide is CCN(CC)CCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide?
The InChIKey is MIHMIGVOBXYRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-3-17(4-2)8-7-16-13(18)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide?
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide has a molecular weight of 272.75 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 17144545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).