2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide

C16H16ClFN2O — CID 25395334

IUPAC2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c1-20(13-5-3-2-4-6-13)10-9-19-16(21)14-8-7-12(18)11-15(14)17/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyBQAXLJYKBYKIGX-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.35
Rot. Bonds5

About 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide

2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 25395334) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID25395334
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c1-20(13-5-3-2-4-6-13)10-9-19-16(21)14-8-7-12(18)11-15(14)17/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyBQAXLJYKBYKIGX-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 103939963
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55772708
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
CID 114917579
4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 81225507
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
1-(2-chloro-4-fluorophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide (CID 25395334) is 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide is CN(CCNC(=O)c1ccc(F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is BQAXLJYKBYKIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-20(13-5-3-2-4-6-13)10-9-19-16(21)14-8-7-12(18)11-15(14)17/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide?
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 306.77 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 25395334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).