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

C16H18ClN3O — CID 115930279

IUPAC3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1cccc(N)c1Cl)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-20(12-6-3-2-4-7-12)11-10-19-16(21)13-8-5-9-14(18)15(13)17/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyQHOPXJBCZVRLOE-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.79
Rot. Bonds5

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

3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 115930279) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID115930279
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1cccc(N)c1Cl)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-20(12-6-3-2-4-7-12)11-10-19-16(21)13-8-5-9-14(18)15(13)17/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyQHOPXJBCZVRLOE-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

2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 103852994
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
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-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219
2-ethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395275

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide (CID 115930279) is 3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide is CN(CCNC(=O)c1cccc(N)c1Cl)c1ccccc1.
What is the InChIKey of 3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is QHOPXJBCZVRLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(12-6-3-2-4-7-12)11-10-19-16(21)13-8-5-9-14(18)15(13)17/h2-9H,10-11,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
3-amino-2-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 3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 115930279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).