N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H23ClN2O3 — CID 51121271

IUPACN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOCCNC(=O)c1ccc(NC(=O)C2CC3CCC2C3)cc1Cl
InChIInChI=1S/C18H23ClN2O3/c1-24-7-6-20-17(22)14-5-4-13(10-16(14)19)21-18(23)15-9-11-2-3-12(15)8-11/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyWWLSYERAJMCDQT-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.09
Rot. Bonds6

About N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51121271) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51121271
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOCCNC(=O)c1ccc(NC(=O)C2CC3CCC2C3)cc1Cl
InChIInChI=1S/C18H23ClN2O3/c1-24-7-6-20-17(22)14-5-4-13(10-16(14)19)21-18(23)15-9-11-2-3-12(15)8-11/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyWWLSYERAJMCDQT-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51027350
4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119737826
2-[(2-chloro-4-nitrobenzoyl)amino]ethyl (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98786605
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878071
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55993465
N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119302844
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide
CID 55878270
(1S,2R,4S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98785794
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 51121271) is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is COCCNC(=O)c1ccc(NC(=O)C2CC3CCC2C3)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WWLSYERAJMCDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-24-7-6-20-17(22)14-5-4-13(10-16(14)19)21-18(23)15-9-11-2-3-12(15)8-11/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51121271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).