N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide

C18H17IN2O2 — CID 46761195

IUPACN-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide
SMILESCc1c(NC(=O)c2ccccc2I)cccc1NC(=O)C1CC1
InChIInChI=1S/C18H17IN2O2/c1-11-15(20-17(22)12-9-10-12)7-4-8-16(11)21-18(23)13-5-2-3-6-14(13)19/h2-8,12H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyCSRDNRVPRZHBMS-UHFFFAOYSA-N
MW420.25 g/mol
LogP4.20
Rot. Bonds4

About N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide

N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide (PubChem CID 46761195) has the molecular formula C18H17IN2O2 and a molecular weight of 420.25 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide
PubChem CID46761195
Molecular FormulaC18H17IN2O2
Molecular Weight420.25 g/mol
Exact Mass420.03
IUPAC NameN-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide
SMILESCc1c(NC(=O)c2ccccc2I)cccc1NC(=O)C1CC1
InChIInChI=1S/C18H17IN2O2/c1-11-15(20-17(22)12-9-10-12)7-4-8-16(11)21-18(23)13-5-2-3-6-14(13)19/h2-8,12H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyCSRDNRVPRZHBMS-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide
CID 46761350
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
CID 60851927
N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 46761188
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
N-(3-hydroxy-2,4-dimethylphenyl)-2-iodobenzamide
CID 61400668
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
CID 46761186
N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 86822897
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide (CID 46761195) is N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide is Cc1c(NC(=O)c2ccccc2I)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide?
The InChIKey is CSRDNRVPRZHBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O2/c1-11-15(20-17(22)12-9-10-12)7-4-8-16(11)21-18(23)13-5-2-3-6-14(13)19/h2-8,12H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide?
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide has a molecular weight of 420.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide is sourced from PubChem (CID 46761195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).