3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide

C14H13ClF2N2OS — CID 79757915

IUPAC3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H13ClF2N2OS/c1-2-19(7-8-3-6-11(15)21-8)14(20)12-9(16)4-5-10(18)13(12)17/h3-6H,2,7,18H2,1H3
InChIKeyBNAWABISJDABRI-UHFFFAOYSA-N
MW330.79 g/mol
LogP3.92
Rot. Bonds4

About 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide (PubChem CID 79757915) has the molecular formula C14H13ClF2N2OS and a molecular weight of 330.79 g/mol. Its IUPAC name is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide
PubChem CID79757915
Molecular FormulaC14H13ClF2N2OS
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H13ClF2N2OS/c1-2-19(7-8-3-6-11(15)21-8)14(20)12-9(16)4-5-10(18)13(12)17/h3-6H,2,7,18H2,1H3
InChIKeyBNAWABISJDABRI-UHFFFAOYSA-N
XLogP3.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
CID 79773079
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120618102
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopent-2-ene-1-carboxamide
CID 79210713
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 39911710
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide (CID 79757915) is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide is CCN(Cc1ccc(Cl)s1)C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide?
The InChIKey is BNAWABISJDABRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2OS/c1-2-19(7-8-3-6-11(15)21-8)14(20)12-9(16)4-5-10(18)13(12)17/h3-6H,2,7,18H2,1H3.
What are the key properties of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide?
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide has a molecular weight of 330.79 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide is sourced from PubChem (CID 79757915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).