2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide

C16H18ClN3O — CID 61111968

IUPAC2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1cc(Cl)ccc1N)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-20(13-5-3-2-4-6-13)10-9-19-16(21)14-11-12(17)7-8-15(14)18/h2-8,11H,9-10,18H2,1H3,(H,19,21)
InChIKeyROHIABLHEUVJRY-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.79
Rot. Bonds5

About 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide

2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 61111968) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID61111968
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1cc(Cl)ccc1N)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-20(13-5-3-2-4-6-13)10-9-19-16(21)14-11-12(17)7-8-15(14)18/h2-8,11H,9-10,18H2,1H3,(H,19,21)
InChIKeyROHIABLHEUVJRY-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.79
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

3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
CID 114917579
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 81225507
2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide
CID 115597357
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide (CID 61111968) is 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide is CN(CCNC(=O)c1cc(Cl)ccc1N)c1ccccc1.
What is the InChIKey of 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is ROHIABLHEUVJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(13-5-3-2-4-6-13)10-9-19-16(21)14-11-12(17)7-8-15(14)18/h2-8,11H,9-10,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 303.79 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 61111968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).