4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide

C13H14ClN3O2 — CID 66248652

IUPAC4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(C#N)c2)COCC1N
InChIInChI=1S/C13H14ClN3O2/c1-13(7-19-6-11(13)16)12(18)17-9-2-3-10(14)8(4-9)5-15/h2-4,11H,6-7,16H2,1H3,(H,17,18)
InChIKeySNETVQCURQVMRC-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.51
Rot. Bonds2

About 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide

4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide (PubChem CID 66248652) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
PubChem CID66248652
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(C#N)c2)COCC1N
InChIInChI=1S/C13H14ClN3O2/c1-13(7-19-6-11(13)16)12(18)17-9-2-3-10(14)8(4-9)5-15/h2-4,11H,6-7,16H2,1H3,(H,17,18)
InChIKeySNETVQCURQVMRC-UHFFFAOYSA-N
XLogP1.51
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
CID 66250811
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
CID 66263329
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264173
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 82868045
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249241
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249432

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide (CID 66248652) is 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)Nc2ccc(Cl)c(C#N)c2)COCC1N.
What is the InChIKey of 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is SNETVQCURQVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-13(7-19-6-11(13)16)12(18)17-9-2-3-10(14)8(4-9)5-15/h2-4,11H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66248652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).