4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide

C12H11ClN2O2S — CID 113228296

IUPAC4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
SMILESNc1ccc(C(=O)NCc2ccc(Cl)s2)cc1O
InChIInChI=1S/C12H11ClN2O2S/c13-11-4-2-8(18-11)6-15-12(17)7-1-3-9(14)10(16)5-7/h1-5,16H,6,14H2,(H,15,17)
InChIKeyDEARNFBTKLMPGK-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.62
Rot. Bonds3

About 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide

4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide (PubChem CID 113228296) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
PubChem CID113228296
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
SMILESNc1ccc(C(=O)NCc2ccc(Cl)s2)cc1O
InChIInChI=1S/C12H11ClN2O2S/c13-11-4-2-8(18-11)6-15-12(17)7-1-3-9(14)10(16)5-7/h1-5,16H,6,14H2,(H,15,17)
InChIKeyDEARNFBTKLMPGK-UHFFFAOYSA-N
XLogP2.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434669
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956442
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-(3-hydroxyprop-1-ynyl)benzamide
CID 81292831
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011768
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide
CID 112750821
2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 115540742

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide (CID 113228296) is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide is Nc1ccc(C(=O)NCc2ccc(Cl)s2)cc1O.
What is the InChIKey of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide?
The InChIKey is DEARNFBTKLMPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-4-2-8(18-11)6-15-12(17)7-1-3-9(14)10(16)5-7/h1-5,16H,6,14H2,(H,15,17).
What are the key properties of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide?
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide has a molecular weight of 282.75 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 113228296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).