N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide

C16H18ClN3O — CID 50881169

IUPACN-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(N(C)C)c(N)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-10-6-4-5-7-11(10)16(21)19-14-9-15(20(2)3)13(18)8-12(14)17/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyQGDSPBRYSBUCOY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.55
Rot. Bonds3

About N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide

N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide (PubChem CID 50881169) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide
PubChem CID50881169
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(N(C)C)c(N)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-10-6-4-5-7-11(10)16(21)19-14-9-15(20(2)3)13(18)8-12(14)17/h4-9H,18H2,1-3H3,(H,19,21)
InChIKeyQGDSPBRYSBUCOY-UHFFFAOYSA-N
XLogP3.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.55
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

N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
CID 50881063
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 17252034
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
CID 23464406
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 104725747
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide (CID 50881169) is N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(N(C)C)c(N)cc1Cl.
What is the InChIKey of N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide?
The InChIKey is QGDSPBRYSBUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-6-4-5-7-11(10)16(21)19-14-9-15(20(2)3)13(18)8-12(14)17/h4-9H,18H2,1-3H3,(H,19,21).
What are the key properties of N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide?
N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide is sourced from PubChem (CID 50881169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).