2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide

C15H14Cl2N2O — CID 61112878

IUPAC2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(20)13-5-4-12(17)9-14(13)18/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyJTWMUESZCJSIIT-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.55
Rot. Bonds4

About 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide

2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide (PubChem CID 61112878) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
PubChem CID61112878
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(20)13-5-4-12(17)9-14(13)18/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyJTWMUESZCJSIIT-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide
CID 108901474
3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
CID 107872355
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
2-(3-chlorophenyl)ethylurea
CID 127513466
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064
4-amino-N-[2-(3-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61113254

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide (CID 61112878) is 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide is Nc1cc(Cl)ccc1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide?
The InChIKey is JTWMUESZCJSIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(20)13-5-4-12(17)9-14(13)18/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide?
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide has a molecular weight of 309.20 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 61112878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).