1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide

C15H18Cl2N2O — CID 81172021

IUPAC1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CCC1
InChIInChI=1S/C15H18Cl2N2O/c16-12-5-2-10(8-13(12)17)9-19(11-3-4-11)14(20)15(18)6-1-7-15/h2,5,8,11H,1,3-4,6-7,9,18H2
InChIKeyVCDRZERTMPZQPX-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.37
Rot. Bonds4

About 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide

1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 81172021) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
PubChem CID81172021
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CCC1
InChIInChI=1S/C15H18Cl2N2O/c16-12-5-2-10(8-13(12)17)9-19(11-3-4-11)14(20)15(18)6-1-7-15/h2,5,8,11H,1,3-4,6-7,9,18H2
InChIKeyVCDRZERTMPZQPX-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide (CID 81172021) is 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide is NC1(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CCC1.
What is the InChIKey of 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is VCDRZERTMPZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-12-5-2-10(8-13(12)17)9-19(11-3-4-11)14(20)15(18)6-1-7-15/h2,5,8,11H,1,3-4,6-7,9,18H2.
What are the key properties of 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide?
1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 313.23 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81172021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).