N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

C17H21ClN2O3 — CID 108973141

IUPACN-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(C(=O)N3CCOCC3)CC2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O3/c1-11-9-12(2)14(13(18)10-11)19-15(21)17(3-4-17)16(22)20-5-7-23-8-6-20/h9-10H,3-8H2,1-2H3,(H,19,21)
InChIKeyAZVHJGHIIOFJHD-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.53
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108973141) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
PubChem CID108973141
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(C(=O)N3CCOCC3)CC2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O3/c1-11-9-12(2)14(13(18)10-11)19-15(21)17(3-4-17)16(22)20-5-7-23-8-6-20/h9-10H,3-8H2,1-2H3,(H,19,21)
InChIKeyAZVHJGHIIOFJHD-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 108978529
N-(3,5-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973117
N-(2-chloro-4,6-dimethylphenyl)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxamide
CID 108977280
N-(3,5-dichlorophenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973199
N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973116
ethyl 4-[1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978708
N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973184
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982372
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982874
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982828
N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973161

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (CID 108973141) is N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is Cc1cc(C)c(NC(=O)C2(C(=O)N3CCOCC3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is AZVHJGHIIOFJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-11-9-12(2)14(13(18)10-11)19-15(21)17(3-4-17)16(22)20-5-7-23-8-6-20/h9-10H,3-8H2,1-2H3,(H,19,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108973141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).