N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide

C19H20IN3O2 — CID 54844717

IUPACN-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NCC(=O)Nc2ccc(I)cc2)cccc1NC(=O)C1CC1
InChIInChI=1S/C19H20IN3O2/c1-12-16(3-2-4-17(12)23-19(25)13-5-6-13)21-11-18(24)22-15-9-7-14(20)8-10-15/h2-4,7-10,13,21H,5-6,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJPVNCQOIVJAESH-UHFFFAOYSA-N
MW449.29 g/mol
LogP4.00
Rot. Bonds6

About N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 54844717) has the molecular formula C19H20IN3O2 and a molecular weight of 449.29 g/mol. Its IUPAC name is N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID54844717
Molecular FormulaC19H20IN3O2
Molecular Weight449.29 g/mol
Exact Mass449.06
IUPAC NameN-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NCC(=O)Nc2ccc(I)cc2)cccc1NC(=O)C1CC1
InChIInChI=1S/C19H20IN3O2/c1-12-16(3-2-4-17(12)23-19(25)13-5-6-13)21-11-18(24)22-15-9-7-14(20)8-10-15/h2-4,7-10,13,21H,5-6,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJPVNCQOIVJAESH-UHFFFAOYSA-N
XLogP4.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 54.00
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

N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844689
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54845319
N-[2-methyl-3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845193
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845439
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
N-[2-methyl-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844978
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54845419

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide (CID 54844717) is N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide is Cc1c(NCC(=O)Nc2ccc(I)cc2)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is JPVNCQOIVJAESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2/c1-12-16(3-2-4-17(12)23-19(25)13-5-6-13)21-11-18(24)22-15-9-7-14(20)8-10-15/h2-4,7-10,13,21H,5-6,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 449.29 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54844717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).