N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide

C20H22IN3O3 — CID 60515711

IUPACN-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C20H22IN3O3/c1-2-5-18(25)24-15-10-8-14(9-11-15)12-22-19(26)13-23-20(27)16-6-3-4-7-17(16)21/h3-4,6-11H,2,5,12-13H2,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyHKCNRQRYAYUGGK-UHFFFAOYSA-N
MW479.32 g/mol
LogP3.08
Rot. Bonds8

About N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide

N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide (PubChem CID 60515711) has the molecular formula C20H22IN3O3 and a molecular weight of 479.32 g/mol. Its IUPAC name is N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
PubChem CID60515711
Molecular FormulaC20H22IN3O3
Molecular Weight479.32 g/mol
Exact Mass479.07
IUPAC NameN-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C20H22IN3O3/c1-2-5-18(25)24-15-10-8-14(9-11-15)12-22-19(26)13-23-20(27)16-6-3-4-7-17(16)21/h3-4,6-11H,2,5,12-13H2,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyHKCNRQRYAYUGGK-UHFFFAOYSA-N
XLogP3.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.32
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55510358
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
N-[4-[[(2-iodobenzoyl)amino]carbamoyl]phenyl]butanamide
CID 1011744
N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60516002
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
butyl 4-[[2-[(2-iodobenzoyl)amino]acetyl]amino]benzoate
CID 35143035
2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933632
N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide
CID 52693589
N-[4-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]butanamide
CID 110953088
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 47057603

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide (CID 60515711) is N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide is CCCC(=O)Nc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1.
What is the InChIKey of N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is HKCNRQRYAYUGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22IN3O3/c1-2-5-18(25)24-15-10-8-14(9-11-15)12-22-19(26)13-23-20(27)16-6-3-4-7-17(16)21/h3-4,6-11H,2,5,12-13H2,1H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 479.32 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 60515711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).