5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide

C14H20ClIN2O3 — CID 103839551

IUPAC5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C14H20ClIN2O3/c1-14(20,8-18(2)3)7-17-13(19)9-5-10(15)11(16)6-12(9)21-4/h5-6,20H,7-8H2,1-4H3,(H,17,19)
InChIKeyFJJFHAXZNGFZEU-UHFFFAOYSA-N
MW426.68 g/mol
LogP2.00
Rot. Bonds6

About 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide

5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide (PubChem CID 103839551) has the molecular formula C14H20ClIN2O3 and a molecular weight of 426.68 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide
PubChem CID103839551
Molecular FormulaC14H20ClIN2O3
Molecular Weight426.68 g/mol
Exact Mass426.02
IUPAC Name5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C14H20ClIN2O3/c1-14(20,8-18(2)3)7-17-13(19)9-5-10(15)11(16)6-12(9)21-4/h5-6,20H,7-8H2,1-4H3,(H,17,19)
InChIKeyFJJFHAXZNGFZEU-UHFFFAOYSA-N
XLogP2.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.68
LogP ≤ 52.00
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-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 106181558
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
CID 103841084
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide
CID 62522447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide (CID 103839551) is 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide is COc1cc(I)c(Cl)cc1C(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide?
The InChIKey is FJJFHAXZNGFZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClIN2O3/c1-14(20,8-18(2)3)7-17-13(19)9-5-10(15)11(16)6-12(9)21-4/h5-6,20H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide?
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide has a molecular weight of 426.68 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 103839551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).