N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide

C14H18Cl2N2O — CID 119522635

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(CN)NC(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-14(2,7-17)18-13(19)10-6-9(10)8-3-4-11(15)12(16)5-8/h3-5,9-10H,6-7,17H2,1-2H3,(H,18,19)
InChIKeyXPFASPLDZUGHBZ-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.95
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide

N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 119522635) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID119522635
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(CN)NC(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-14(2,7-17)18-13(19)10-6-9(10)8-3-4-11(15)12(16)5-8/h3-5,9-10H,6-7,17H2,1-2H3,(H,18,19)
InChIKeyXPFASPLDZUGHBZ-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide (CID 119522635) is N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide is CC(C)(CN)NC(=O)C1CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XPFASPLDZUGHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-14(2,7-17)18-13(19)10-6-9(10)8-3-4-11(15)12(16)5-8/h3-5,9-10H,6-7,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119522635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).