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

C12H18ClN3O — CID 55097987

IUPAC3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
SMILESCCN(C)CCNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H18ClN3O/c1-3-16(2)7-6-15-12(17)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyPFAPYFYEMIPFRE-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.60
Rot. Bonds5

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

3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide (PubChem CID 55097987) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
PubChem CID55097987
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
SMILESCCN(C)CCNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H18ClN3O/c1-3-16(2)7-6-15-12(17)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyPFAPYFYEMIPFRE-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

3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159
3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
CID 82546388
4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 81295607
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
CID 43590642
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223
3-amino-4-chloro-N',N'-dimethylbenzohydrazide
CID 83012713
2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 113331749
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide (CID 55097987) is 3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide is CCN(C)CCNC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The InChIKey is PFAPYFYEMIPFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-16(2)7-6-15-12(17)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
3-amino-4-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 3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 55097987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).