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

C12H18ClN3O — CID 113331749

IUPAC2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
SMILESCCN(C)CCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C12H18ClN3O/c1-3-16(2)8-7-15-12(17)9-5-4-6-10(13)11(9)14/h4-6H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyNWKIQRDZMRFNIG-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.60
Rot. Bonds5

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

2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide (PubChem CID 113331749) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
PubChem CID113331749
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
SMILESCCN(C)CCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C12H18ClN3O/c1-3-16(2)8-7-15-12(17)9-5-4-6-10(13)11(9)14/h4-6H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyNWKIQRDZMRFNIG-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.60
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-3-chloro-N-propylbenzamide
CID 80503191
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113331750
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
2-chloro-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 55090733
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 115540069
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
CID 55090844
6-amino-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 62641667
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634790

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide (CID 113331749) is 2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide is CCN(C)CCNC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The InChIKey is NWKIQRDZMRFNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-16(2)8-7-15-12(17)9-5-4-6-10(13)11(9)14/h4-6H,3,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide has a molecular weight of 255.75 g/mol, XLogP of 1.60, 5 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-[2-[ethyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 113331749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).