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

C14H18ClFN2O2 — CID 66255932

IUPACN-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFN2O2/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)
InChIKeyDHPCGWRSMUFTPK-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.43
Rot. Bonds5

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

N-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255932) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255932
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFN2O2/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)
InChIKeyDHPCGWRSMUFTPK-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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Related Compounds

1-(3-Chloro-4-fluorophenyl)-4-(propan-2-ylamino)-5-(2,2,2-trifluoroethoxy)pyrrolidin-2-one
CID 168276211
1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 4110392
1-(3-chloro-4-fluorophenyl)-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 4110545
1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 46048686
Ethyl 3-[[1-(2-chlorophenyl)pyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 137983050
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide
CID 4797493
N-(3-chloro-4-fluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6472033
(3R)-N-(3-chloro-4-fluorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449901
(3R)-N-(3-chloro-4-fluorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449902
(3S)-N-(3-chloro-4-fluorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449903
(3S)-N-(3-chloro-4-fluorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449904
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-(2-methoxyethyl)azanium
CID 8118844

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (CID 66255932) is N-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is DHPCGWRSMUFTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/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-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2-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-(2-chloro-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).