1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide

C10H9ClFNO — CID 89184004

IUPAC1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cccc(Cl)c2F)CC1
InChIInChI=1S/C10H9ClFNO/c11-7-3-1-2-6(8(7)12)10(4-5-10)9(13)14/h1-3H,4-5H2,(H2,13,14)
InChIKeyHHDFCEGIMQAJAR-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.00
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide

1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 89184004) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID89184004
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cccc(Cl)c2F)CC1
InChIInChI=1S/C10H9ClFNO/c11-7-3-1-2-6(8(7)12)10(4-5-10)9(13)14/h1-3H,4-5H2,(H2,13,14)
InChIKeyHHDFCEGIMQAJAR-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide (CID 89184004) is 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide is NC(=O)C1(c2cccc(Cl)c2F)CC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is HHDFCEGIMQAJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-7-3-1-2-6(8(7)12)10(4-5-10)9(13)14/h1-3H,4-5H2,(H2,13,14).
What are the key properties of 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide?
1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 213.64 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 89184004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).