2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide

C14H18ClNO3 — CID 70610581

IUPAC2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CC1Cl
InChIInChI=1S/C14H18ClNO3/c1-9(2)19-11-6-4-10(5-7-11)16-13(17)14(18-3)8-12(14)15/h4-7,9,12H,8H2,1-3H3,(H,16,17)
InChIKeyCTEVZCKYTNMVLM-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.81
Rot. Bonds5

About 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide

2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (PubChem CID 70610581) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
PubChem CID70610581
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Name2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CC1Cl
InChIInChI=1S/C14H18ClNO3/c1-9(2)19-11-6-4-10(5-7-11)16-13(17)14(18-3)8-12(14)15/h4-7,9,12H,8H2,1-3H3,(H,16,17)
InChIKeyCTEVZCKYTNMVLM-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 70610859
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983259
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 100729464
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
(1R,5R)-3-(4-methoxyphenyl)-2,2-dioxo-N-(4-propan-2-yloxyphenyl)-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125064059
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707870
1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 108980460

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (CID 70610581) is 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is COC1(C(=O)Nc2ccc(OC(C)C)cc2)CC1Cl.
What is the InChIKey of 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is CTEVZCKYTNMVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9(2)19-11-6-4-10(5-7-11)16-13(17)14(18-3)8-12(14)15/h4-7,9,12H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 70610581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).