(2-amino-4-chlorophenyl)-cyclopropylmethanone

C10H10ClNO — CID 64916176

IUPAC(2-amino-4-chlorophenyl)-cyclopropylmethanone
SMILESNc1cc(Cl)ccc1C(=O)C1CC1
InChIInChI=1S/C10H10ClNO/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6H,1-2,12H2
InChIKeyAHLBIDSKXXZACY-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.51
Rot. Bonds2

About (2-amino-4-chlorophenyl)-cyclopropylmethanone

(2-amino-4-chlorophenyl)-cyclopropylmethanone (PubChem CID 64916176) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-cyclopropylmethanone
PubChem CID64916176
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name(2-amino-4-chlorophenyl)-cyclopropylmethanone
SMILESNc1cc(Cl)ccc1C(=O)C1CC1
InChIInChI=1S/C10H10ClNO/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6H,1-2,12H2
InChIKeyAHLBIDSKXXZACY-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 (2-amino-4-chlorophenyl)-cyclopropylmethanone?
The IUPAC name of (2-amino-4-chlorophenyl)-cyclopropylmethanone (CID 64916176) is (2-amino-4-chlorophenyl)-cyclopropylmethanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-cyclopropylmethanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-cyclopropylmethanone is Nc1cc(Cl)ccc1C(=O)C1CC1.
What is the InChIKey of (2-amino-4-chlorophenyl)-cyclopropylmethanone?
The InChIKey is AHLBIDSKXXZACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6H,1-2,12H2.
What are the key properties of (2-amino-4-chlorophenyl)-cyclopropylmethanone?
(2-amino-4-chlorophenyl)-cyclopropylmethanone has a molecular weight of 195.65 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-cyclopropylmethanone is sourced from PubChem (CID 64916176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).