5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide

C18H18ClIN2O4 — CID 34874419

IUPAC5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc(Cl)c(I)cc2OC)c1
InChIInChI=1S/C18H18ClIN2O4/c1-3-21-17(23)10-26-12-6-4-5-11(7-12)22-18(24)13-8-14(19)15(20)9-16(13)25-2/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMNBMHJHEXLVNQY-UHFFFAOYSA-N
MW488.71 g/mol
LogP3.72
Rot. Bonds7

About 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide

5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide (PubChem CID 34874419) has the molecular formula C18H18ClIN2O4 and a molecular weight of 488.71 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide
PubChem CID34874419
Molecular FormulaC18H18ClIN2O4
Molecular Weight488.71 g/mol
Exact Mass488.00
IUPAC Name5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc(Cl)c(I)cc2OC)c1
InChIInChI=1S/C18H18ClIN2O4/c1-3-21-17(23)10-26-12-6-4-5-11(7-12)22-18(24)13-8-14(19)15(20)9-16(13)25-2/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMNBMHJHEXLVNQY-UHFFFAOYSA-N
XLogP3.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.71
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 39045106
5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide
CID 52577352
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
5-chloro-N-[3-(3-cyanopropoxy)phenyl]-4-iodo-2-methoxybenzamide
CID 55878842
2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 34875961
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 34871494
5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 112820278
N-[2-chloro-5-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 39043632
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-methoxy-5-methylbenzamide
CID 55901703
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide (CID 34874419) is 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide is CCNC(=O)COc1cccc(NC(=O)c2cc(Cl)c(I)cc2OC)c1.
What is the InChIKey of 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide?
The InChIKey is MNBMHJHEXLVNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClIN2O4/c1-3-21-17(23)10-26-12-6-4-5-11(7-12)22-18(24)13-8-14(19)15(20)9-16(13)25-2/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide?
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide has a molecular weight of 488.71 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 34874419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).