2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide

C12H10Cl2N2OS — CID 115540742

IUPAC2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C12H10Cl2N2OS/c13-9-3-1-2-8(11(9)15)12(17)16-6-7-4-5-10(14)18-7/h1-5H,6,15H2,(H,16,17)
InChIKeyMPOQFCHAJHFUOU-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.57
Rot. Bonds3

About 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide

2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide (PubChem CID 115540742) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
PubChem CID115540742
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C12H10Cl2N2OS/c13-9-3-1-2-8(11(9)15)12(17)16-6-7-4-5-10(14)18-7/h1-5H,6,15H2,(H,16,17)
InChIKeyMPOQFCHAJHFUOU-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.57
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

N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423
2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 113331820
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide
CID 33177904
3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106006505
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 113331710
N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261709
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
CID 113228296
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide (CID 115540742) is 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide is Nc1c(Cl)cccc1C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide?
The InChIKey is MPOQFCHAJHFUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-9-3-1-2-8(11(9)15)12(17)16-6-7-4-5-10(14)18-7/h1-5H,6,15H2,(H,16,17).
What are the key properties of 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide?
2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide has a molecular weight of 301.20 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 115540742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).