N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide

C14H17Cl2NO2 — CID 110444555

IUPACN-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-14(2,10-6-5-9(15)8-11(10)16)17-13(18)12-4-3-7-19-12/h5-6,8,12H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyJDNWBTIEIPFXRM-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.52
Rot. Bonds3

About N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide

N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide (PubChem CID 110444555) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide
PubChem CID110444555
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-14(2,10-6-5-9(15)8-11(10)16)17-13(18)12-4-3-7-19-12/h5-6,8,12H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyJDNWBTIEIPFXRM-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide
CID 110441759
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
(2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide
CID 96559481
N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide
CID 110445693
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 104856124
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 774185
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide (CID 110444555) is N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide is CC(C)(NC(=O)C1CCCO1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide?
The InChIKey is JDNWBTIEIPFXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-14(2,10-6-5-9(15)8-11(10)16)17-13(18)12-4-3-7-19-12/h5-6,8,12H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide?
N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 110444555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).