4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide

C14H14Cl2N2OS — CID 82832446

IUPAC4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)sc1C
InChIInChI=1S/C14H14Cl2N2OS/c1-7-3-10(20-8(7)2)6-18-14(19)9-4-11(15)13(17)12(16)5-9/h3-5H,6,17H2,1-2H3,(H,18,19)
InChIKeyUCXPKUMMYODWOI-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.18
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide

4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide (PubChem CID 82832446) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
PubChem CID82832446
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)sc1C
InChIInChI=1S/C14H14Cl2N2OS/c1-7-3-10(20-8(7)2)6-18-14(19)9-4-11(15)13(17)12(16)5-9/h3-5H,6,17H2,1-2H3,(H,18,19)
InChIKeyUCXPKUMMYODWOI-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
CID 104852791
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 82812054
3,6-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 65243704
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114918600
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 65244137

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide (CID 82832446) is 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)sc1C.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
The InChIKey is UCXPKUMMYODWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-7-3-10(20-8(7)2)6-18-14(19)9-4-11(15)13(17)12(16)5-9/h3-5H,6,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide has a molecular weight of 329.25 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 82832446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).