N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C12H12ClF3N2O — CID 59529866

IUPACN-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESNc1cc(CNC(=O)C2(C(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C12H12ClF3N2O/c13-8-2-1-7(5-9(8)17)6-18-10(19)11(3-4-11)12(14,15)16/h1-2,5H,3-4,6,17H2,(H,18,19)
InChIKeyMSYVISQNPAVZRB-UHFFFAOYSA-N
MW292.69 g/mol
LogP2.88
Rot. Bonds3

About N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 59529866) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID59529866
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC NameN-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESNc1cc(CNC(=O)C2(C(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C12H12ClF3N2O/c13-8-2-1-7(5-9(8)17)6-18-10(19)11(3-4-11)12(14,15)16/h1-2,5H,3-4,6,17H2,(H,18,19)
InChIKeyMSYVISQNPAVZRB-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 59529866) is N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is Nc1cc(CNC(=O)C2(C(F)(F)F)CC2)ccc1Cl.
What is the InChIKey of N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is MSYVISQNPAVZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c13-8-2-1-7(5-9(8)17)6-18-10(19)11(3-4-11)12(14,15)16/h1-2,5H,3-4,6,17H2,(H,18,19).
What are the key properties of N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 292.69 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-chlorophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59529866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).