N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide

C19H21IN2O2 — CID 60553266

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
SMILESCCN(Cc1ccccc1NC(=O)c1cccc(C)c1I)C(C)=O
InChIInChI=1S/C19H21IN2O2/c1-4-22(14(3)23)12-15-9-5-6-11-17(15)21-19(24)16-10-7-8-13(2)18(16)20/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyNGZWJNZWVCOHFX-UHFFFAOYSA-N
MW436.29 g/mol
LogP4.22
Rot. Bonds5

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide (PubChem CID 60553266) has the molecular formula C19H21IN2O2 and a molecular weight of 436.29 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
PubChem CID60553266
Molecular FormulaC19H21IN2O2
Molecular Weight436.29 g/mol
Exact Mass436.06
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
SMILESCCN(Cc1ccccc1NC(=O)c1cccc(C)c1I)C(C)=O
InChIInChI=1S/C19H21IN2O2/c1-4-22(14(3)23)12-15-9-5-6-11-17(15)21-19(24)16-10-7-8-13(2)18(16)20/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyNGZWJNZWVCOHFX-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
CID 120623542
2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide
CID 75477996
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dimethoxybenzamide
CID 86982939
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 46434978
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
CID 55685027
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide (CID 60553266) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide is CCN(Cc1ccccc1NC(=O)c1cccc(C)c1I)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide?
The InChIKey is NGZWJNZWVCOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O2/c1-4-22(14(3)23)12-15-9-5-6-11-17(15)21-19(24)16-10-7-8-13(2)18(16)20/h5-11H,4,12H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide has a molecular weight of 436.29 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 60553266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).