N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide

C15H20Cl2N2O — CID 58170987

IUPACN-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide
SMILESCCC(=O)NCCc1cc(Cl)c(Cl)c(CNC2CC2)c1
InChIInChI=1S/C15H20Cl2N2O/c1-2-14(20)18-6-5-10-7-11(9-19-12-3-4-12)15(17)13(16)8-10/h7-8,12,19H,2-6,9H2,1H3,(H,18,20)
InChIKeyVVLFAUANEHDANX-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.31
Rot. Bonds7

About N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide

N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide (PubChem CID 58170987) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide
PubChem CID58170987
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide
SMILESCCC(=O)NCCc1cc(Cl)c(Cl)c(CNC2CC2)c1
InChIInChI=1S/C15H20Cl2N2O/c1-2-14(20)18-6-5-10-7-11(9-19-12-3-4-12)15(17)13(16)8-10/h7-8,12,19H,2-6,9H2,1H3,(H,18,20)
InChIKeyVVLFAUANEHDANX-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide?
The IUPAC name of N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide (CID 58170987) is N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide.
What is the SMILES notation for N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide?
The canonical SMILES for N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide is CCC(=O)NCCc1cc(Cl)c(Cl)c(CNC2CC2)c1.
What is the InChIKey of N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide?
The InChIKey is VVLFAUANEHDANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-14(20)18-6-5-10-7-11(9-19-12-3-4-12)15(17)13(16)8-10/h7-8,12,19H,2-6,9H2,1H3,(H,18,20).
What are the key properties of N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide?
N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide has a molecular weight of 315.24 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide is sourced from PubChem (CID 58170987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).