N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide

C19H20FIN2O3 — CID 22285937

IUPACN-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOC(O)C1CCC1
InChIInChI=1S/C19H20FIN2O3/c1-11-9-14(21)6-8-16(11)22-17-10-13(20)5-7-15(17)18(24)23-26-19(25)12-3-2-4-12/h5-10,12,19,22,25H,2-4H2,1H3,(H,23,24)
InChIKeyNMWAAXXTOPNMSL-UHFFFAOYSA-N
MW470.28 g/mol
LogP4.26
Rot. Bonds6

About N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide

N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide (PubChem CID 22285937) has the molecular formula C19H20FIN2O3 and a molecular weight of 470.28 g/mol. Its IUPAC name is N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide.

Molecular Properties

Compound NameN-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
PubChem CID22285937
Molecular FormulaC19H20FIN2O3
Molecular Weight470.28 g/mol
Exact Mass470.05
IUPAC NameN-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOC(O)C1CCC1
InChIInChI=1S/C19H20FIN2O3/c1-11-9-14(21)6-8-16(11)22-17-10-13(20)5-7-15(17)18(24)23-26-19(25)12-3-2-4-12/h5-10,12,19,22,25H,2-4H2,1H3,(H,23,24)
InChIKeyNMWAAXXTOPNMSL-UHFFFAOYSA-N
XLogP4.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.28
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[cyclobutyl(hydroxy)methoxy]-4,5-difluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22286539
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
4,5-difluoro-N-(3-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 87738648
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 10173990
5-bromo-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-4-fluorobenzamide
CID 22286602
N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 10173887
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
CID 10216768
5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide
CID 22286441
3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide
CID 150751451
4,5-difluoro-N-(4-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286588
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
CID 22286222
N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
CID 174430701

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide?
The IUPAC name of N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide (CID 22285937) is N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide.
What is the SMILES notation for N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide?
The canonical SMILES for N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide is Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOC(O)C1CCC1.
What is the InChIKey of N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide?
The InChIKey is NMWAAXXTOPNMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FIN2O3/c1-11-9-14(21)6-8-16(11)22-17-10-13(20)5-7-15(17)18(24)23-26-19(25)12-3-2-4-12/h5-10,12,19,22,25H,2-4H2,1H3,(H,23,24).
What are the key properties of N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide?
N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide has a molecular weight of 470.28 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide is sourced from PubChem (CID 22285937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).