N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide

C14H18ClFN2O2 — CID 66254785

IUPACN-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-9-3-4-12(16)11(15)6-9/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19)
InChIKeyWRMPYEAVMQVUDA-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.43
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide

N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66254785) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66254785
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-9-3-4-12(16)11(15)6-9/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19)
InChIKeyWRMPYEAVMQVUDA-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (CID 66254785) is N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is WRMPYEAVMQVUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-9-3-4-12(16)11(15)6-9/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 300.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66254785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).