5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide

C17H19ClN2O — CID 102705155

IUPAC5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(C)Cc2cccc(Cl)c2)cc1N
InChIInChI=1S/C17H19ClN2O/c1-11-7-12(2)16(19)9-15(11)17(21)20(3)10-13-5-4-6-14(18)8-13/h4-9H,10,19H2,1-3H3
InChIKeyOIIBHXJQOZITNO-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.81
Rot. Bonds3

About 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide

5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide (PubChem CID 102705155) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
PubChem CID102705155
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(C)Cc2cccc(Cl)c2)cc1N
InChIInChI=1S/C17H19ClN2O/c1-11-7-12(2)16(19)9-15(11)17(21)20(3)10-13-5-4-6-14(18)8-13/h4-9H,10,19H2,1-3H3
InChIKeyOIIBHXJQOZITNO-UHFFFAOYSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 61118192
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide
CID 134044846
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60946254
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81239957

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide?
The IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide (CID 102705155) is 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide.
What is the SMILES notation for 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide?
The canonical SMILES for 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide is Cc1cc(C)c(C(=O)N(C)Cc2cccc(Cl)c2)cc1N.
What is the InChIKey of 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide?
The InChIKey is OIIBHXJQOZITNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-7-12(2)16(19)9-15(11)17(21)20(3)10-13-5-4-6-14(18)8-13/h4-9H,10,19H2,1-3H3.
What are the key properties of 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide?
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide is sourced from PubChem (CID 102705155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).