(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

C12H13Cl2NO2 — CID 7959638

IUPAC(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CC2(Cl)Cl)cc1
InChIInChI=1S/C12H13Cl2NO2/c1-17-9-4-2-8(3-5-9)7-15-11(16)10-6-12(10,13)14/h2-5,10H,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyQKHXODPHGQJFME-SNVBAGLBSA-N
MW274.15 g/mol
LogP2.51
Rot. Bonds4

About (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 7959638) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID7959638
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CC2(Cl)Cl)cc1
InChIInChI=1S/C12H13Cl2NO2/c1-17-9-4-2-8(3-5-9)7-15-11(16)10-6-12(10,13)14/h2-5,10H,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyQKHXODPHGQJFME-SNVBAGLBSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 143534817
2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 78884991
3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 115161488
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78879212
trans-(1S,3S)-3-(2,2-dichloroethenyl)-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 2181553
N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide
CID 110851628
(1R,6R)-6-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 6938180
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
CID 166706454

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 7959638) is (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(CNC(=O)[C@H]2CC2(Cl)Cl)cc1.
What is the InChIKey of (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is QKHXODPHGQJFME-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-17-9-4-2-8(3-5-9)7-15-11(16)10-6-12(10,13)14/h2-5,10H,6-7H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 274.15 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 7959638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).