2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide

C17H14ClIN2O2 — CID 2197329

IUPAC2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(I)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14ClIN2O2/c1-2-9-20-16(22)13-10-11(19)7-8-15(13)21-17(23)12-5-3-4-6-14(12)18/h2-8,10H,1,9H2,(H,20,22)(H,21,23)
InChIKeyJYXMODHCRVPPBL-UHFFFAOYSA-N
MW440.67 g/mol
LogP4.11
Rot. Bonds5

About 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide

2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide (PubChem CID 2197329) has the molecular formula C17H14ClIN2O2 and a molecular weight of 440.67 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide
PubChem CID2197329
Molecular FormulaC17H14ClIN2O2
Molecular Weight440.67 g/mol
Exact Mass439.98
IUPAC Name2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(I)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14ClIN2O2/c1-2-9-20-16(22)13-10-11(19)7-8-15(13)21-17(23)12-5-3-4-6-14(12)18/h2-8,10H,1,9H2,(H,20,22)(H,21,23)
InChIKeyJYXMODHCRVPPBL-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.67
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
2-[(2-chlorobenzoyl)amino]-5-iodo-N-pyridin-3-ylbenzamide
CID 2196346
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565
N-[2-[(2-chlorophenyl)carbamoyl]-4-iodophenyl]furan-2-carboxamide
CID 1305585
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 126135724
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 55556193
2-oxo-6-phenyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 75493420

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide (CID 2197329) is 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(I)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide?
The InChIKey is JYXMODHCRVPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClIN2O2/c1-2-9-20-16(22)13-10-11(19)7-8-15(13)21-17(23)12-5-3-4-6-14(12)18/h2-8,10H,1,9H2,(H,20,22)(H,21,23).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide?
2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide has a molecular weight of 440.67 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide is sourced from PubChem (CID 2197329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).