2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide

C16H16ClN3O2 — CID 108901474

IUPAC2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-12-5-3-4-11(10-12)8-9-19-16(22)20-15(21)13-6-1-2-7-14(13)18/h1-7,10H,8-9,18H2,(H2,19,20,21,22)
InChIKeyLCZMIEOLYZIECJ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide

2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide (PubChem CID 108901474) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide
PubChem CID108901474
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-12-5-3-4-11(10-12)8-9-19-16(22)20-15(21)13-6-1-2-7-14(13)18/h1-7,10H,8-9,18H2,(H2,19,20,21,22)
InChIKeyLCZMIEOLYZIECJ-UHFFFAOYSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide
CID 108898720
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
CID 108901974
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
2-(3-chlorophenyl)ethylurea
CID 127513466
3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
CID 107872355
1-[2-(3-chlorophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108901546
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide?
The IUPAC name of 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide (CID 108901474) is 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide is Nc1ccccc1C(=O)NC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide?
The InChIKey is LCZMIEOLYZIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-12-5-3-4-11(10-12)8-9-19-16(22)20-15(21)13-6-1-2-7-14(13)18/h1-7,10H,8-9,18H2,(H2,19,20,21,22).
What are the key properties of 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide?
2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide has a molecular weight of 317.78 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide is sourced from PubChem (CID 108901474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).