N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

C23H21IN2O5 — CID 2418372

IUPACN-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(I)c2)cc1OC
InChIInChI=1S/C23H21IN2O5/c1-29-19-9-4-3-8-18(19)26-22(27)14-31-20-11-10-15(12-21(20)30-2)23(28)25-17-7-5-6-16(24)13-17/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNVNWNROQIGDQKA-UHFFFAOYSA-N
MW532.33 g/mol
LogP4.58
Rot. Bonds8

About N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 2418372) has the molecular formula C23H21IN2O5 and a molecular weight of 532.33 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID2418372
Molecular FormulaC23H21IN2O5
Molecular Weight532.33 g/mol
Exact Mass532.05
IUPAC NameN-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(I)c2)cc1OC
InChIInChI=1S/C23H21IN2O5/c1-29-19-9-4-3-8-18(19)26-22(27)14-31-20-11-10-15(12-21(20)30-2)23(28)25-17-7-5-6-16(24)13-17/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNVNWNROQIGDQKA-UHFFFAOYSA-N
XLogP4.58
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.33
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 3554862
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
3-hydroxy-N-(3-iodophenyl)-4-methoxybenzamide
CID 79672942
4-fluoro-N-(3-iodophenyl)-3-methoxybenzamide
CID 80948390
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
CID 56558869
N-[2-(benzylamino)-2-oxoethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55676193
2-hydroxyethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 32697010
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46593010
2-[4-(azetidine-1-carbonyl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 17439322

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (CID 2418372) is N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(I)c2)cc1OC.
What is the InChIKey of N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is NVNWNROQIGDQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21IN2O5/c1-29-19-9-4-3-8-18(19)26-22(27)14-31-20-11-10-15(12-21(20)30-2)23(28)25-17-7-5-6-16(24)13-17/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 532.33 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 2418372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).