5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide

C14H13BrCl2N2OS — CID 107184564

IUPAC5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H13BrCl2N2OS/c1-2-19(7-9-3-4-12(15)21-9)14(20)10-5-8(18)6-11(16)13(10)17/h3-6H,2,7,18H2,1H3
InChIKeyWTIQKZHGOGMNGI-UHFFFAOYSA-N
MW408.15 g/mol
LogP5.06
Rot. Bonds4

About 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide

5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide (PubChem CID 107184564) has the molecular formula C14H13BrCl2N2OS and a molecular weight of 408.15 g/mol. Its IUPAC name is 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide
PubChem CID107184564
Molecular FormulaC14H13BrCl2N2OS
Molecular Weight408.15 g/mol
Exact Mass405.93
IUPAC Name5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H13BrCl2N2OS/c1-2-19(7-9-3-4-12(15)21-9)14(20)10-5-8(18)6-11(16)13(10)17/h3-6H,2,7,18H2,1H3
InChIKeyWTIQKZHGOGMNGI-UHFFFAOYSA-N
XLogP5.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.15
LogP ≤ 55.06
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

5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-N-ethyl-4-iodobenzamide
CID 103221617
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide
CID 60938086
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60655011
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
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246
N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-ethylpyridine-2-carboxamide
CID 62233456

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide?
The IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide (CID 107184564) is 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide.
What is the SMILES notation for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide?
The canonical SMILES for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide is CCN(Cc1ccc(Br)s1)C(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide?
The InChIKey is WTIQKZHGOGMNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2OS/c1-2-19(7-9-3-4-12(15)21-9)14(20)10-5-8(18)6-11(16)13(10)17/h3-6H,2,7,18H2,1H3.
What are the key properties of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide?
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide has a molecular weight of 408.15 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide is sourced from PubChem (CID 107184564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).