N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide

C14H18ClIN2O2 — CID 66254611

IUPACN-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H18ClIN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-12-4-3-9(16)6-11(12)15/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19)
InChIKeyYKTHZKFKOQWCIL-UHFFFAOYSA-N
MW408.67 g/mol
LogP2.90
Rot. Bonds5

About N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide

N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66254611) has the molecular formula C14H18ClIN2O2 and a molecular weight of 408.67 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66254611
Molecular FormulaC14H18ClIN2O2
Molecular Weight408.67 g/mol
Exact Mass408.01
IUPAC NameN-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H18ClIN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-12-4-3-9(16)6-11(12)15/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19)
InChIKeyYKTHZKFKOQWCIL-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.67
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254391
N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 81287725
N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254786
N-(2,6-dichloro-3-methylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66257067
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 82683106
N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 102695461
N-(4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255163
2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587823
N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
CID 107594898
N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256350
cis-(1S,2R)-2-[(2-chloro-4-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366670

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide (CID 66254611) is N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is YKTHZKFKOQWCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-12-4-3-9(16)6-11(12)15/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 408.67 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66254611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).