N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide

C21H21ClN2O2 — CID 108981162

IUPACN-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C21H21ClN2O2/c1-14-13-16(22)8-9-17(14)23-19(25)21(10-11-21)20(26)24-12-4-6-15-5-2-3-7-18(15)24/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,23,25)
InChIKeyJDAQLTDVGMEDLF-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.35
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide

N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108981162) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108981162
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C21H21ClN2O2/c1-14-13-16(22)8-9-17(14)23-19(25)21(10-11-21)20(26)24-12-4-6-15-5-2-3-7-18(15)24/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,23,25)
InChIKeyJDAQLTDVGMEDLF-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
1-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 108980445
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 108978374
N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108981061
1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 108980844
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-N-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631
1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 108981079
ethyl 4-[1-[(4-chloro-2-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978716
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide (CID 108981162) is N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is JDAQLTDVGMEDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-14-13-16(22)8-9-17(14)23-19(25)21(10-11-21)20(26)24-12-4-6-15-5-2-3-7-18(15)24/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108981162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).