4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C22H20IN3O2 — CID 54838604

IUPAC4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H20IN3O2/c1-26(20-5-3-2-4-6-20)22(28)16-7-11-18(12-8-16)24-15-21(27)25-19-13-9-17(23)10-14-19/h2-14,24H,15H2,1H3,(H,25,27)
InChIKeyUDNNSEDZWUMXNS-UHFFFAOYSA-N
MW485.33 g/mol
LogP4.62
Rot. Bonds6

About 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54838604) has the molecular formula C22H20IN3O2 and a molecular weight of 485.33 g/mol. Its IUPAC name is 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54838604
Molecular FormulaC22H20IN3O2
Molecular Weight485.33 g/mol
Exact Mass485.06
IUPAC Name4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H20IN3O2/c1-26(20-5-3-2-4-6-20)22(28)16-7-11-18(12-8-16)24-15-21(27)25-19-13-9-17(23)10-14-19/h2-14,24H,15H2,1H3,(H,25,27)
InChIKeyUDNNSEDZWUMXNS-UHFFFAOYSA-N
XLogP4.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
CID 54833224
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838200
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838199
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477
N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837413
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54838604) is 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(NCC(=O)Nc2ccc(I)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is UDNNSEDZWUMXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20IN3O2/c1-26(20-5-3-2-4-6-20)22(28)16-7-11-18(12-8-16)24-15-21(27)25-19-13-9-17(23)10-14-19/h2-14,24H,15H2,1H3,(H,25,27).
What are the key properties of 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 485.33 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54838604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).