2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide

C14H14Cl2N2O3 — CID 71983804

IUPAC2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2(Cl)Cl)cc1N1CCOC1=O
InChIInChI=1S/C14H14Cl2N2O3/c1-8-2-3-9(17-12(19)10-7-14(10,15)16)6-11(8)18-4-5-21-13(18)20/h2-3,6,10H,4-5,7H2,1H3,(H,17,19)
InChIKeyNHOGRSSMHUQVRJ-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.08
Rot. Bonds3

About 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 71983804) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID71983804
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2(Cl)Cl)cc1N1CCOC1=O
InChIInChI=1S/C14H14Cl2N2O3/c1-8-2-3-9(17-12(19)10-7-14(10,15)16)6-11(8)18-4-5-21-13(18)20/h2-3,6,10H,4-5,7H2,1H3,(H,17,19)
InChIKeyNHOGRSSMHUQVRJ-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one
CID 110006719
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 102558789
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 7961012
phenyl (4S)-4-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)anilino]azepane-1-carboxylate
CID 100621105
2,2-dichloro-N-[4-(morpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 78892227
3,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 110363407
(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 8712837
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 7900097
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide (CID 71983804) is 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2CC2(Cl)Cl)cc1N1CCOC1=O.
What is the InChIKey of 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is NHOGRSSMHUQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-8-2-3-9(17-12(19)10-7-14(10,15)16)6-11(8)18-4-5-21-13(18)20/h2-3,6,10H,4-5,7H2,1H3,(H,17,19).
What are the key properties of 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71983804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).