3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide

C16H18ClN3O — CID 82991478

IUPAC3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccc(Cl)cc2)c(N)c1
InChIInChI=1S/C16H18ClN3O/c1-10(11-3-6-13(17)7-4-11)20-15-8-5-12(9-14(15)18)16(21)19-2/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyYGXQFMUKAIGSBB-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.45
Rot. Bonds4

About 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide

3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide (PubChem CID 82991478) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
PubChem CID82991478
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccc(Cl)cc2)c(N)c1
InChIInChI=1S/C16H18ClN3O/c1-10(11-3-6-13(17)7-4-11)20-15-8-5-12(9-14(15)18)16(21)19-2/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyYGXQFMUKAIGSBB-UHFFFAOYSA-N
XLogP3.45
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.45
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

3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine
CID 66065911
3-amino-4-(2,4-dichloroanilino)-N-methylbenzamide
CID 82988433
3-amino-4-[[(1S)-1-phenylethyl]amino]-N-propylbenzamide
CID 100621942
3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide
CID 82989111
3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide
CID 82989343
3-amino-N-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzamide
CID 106281246

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide (CID 82991478) is 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(C)c2ccc(Cl)cc2)c(N)c1.
What is the InChIKey of 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide?
The InChIKey is YGXQFMUKAIGSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(11-3-6-13(17)7-4-11)20-15-8-5-12(9-14(15)18)16(21)19-2/h3-10,20H,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide?
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 82991478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).