2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide

C15H20Cl2N2O — CID 78833214

IUPAC2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide
SMILESCCN(CCNC(=O)C1CC1(Cl)Cl)c1cccc(C)c1
InChIInChI=1S/C15H20Cl2N2O/c1-3-19(12-6-4-5-11(2)9-12)8-7-18-14(20)13-10-15(13,16)17/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,18,20)
InChIKeyMFKVLHMOWWMHGU-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.13
Rot. Bonds6

About 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide (PubChem CID 78833214) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide
PubChem CID78833214
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide
SMILESCCN(CCNC(=O)C1CC1(Cl)Cl)c1cccc(C)c1
InChIInChI=1S/C15H20Cl2N2O/c1-3-19(12-6-4-5-11(2)9-12)8-7-18-14(20)13-10-15(13,16)17/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,18,20)
InChIKeyMFKVLHMOWWMHGU-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.13
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

3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831760
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831762
(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119831742
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 154816431
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618394
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
1'-acetyl-N-[2-(N-ethyl-3-methylanilino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 134073521
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide (CID 78833214) is 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide is CCN(CCNC(=O)C1CC1(Cl)Cl)c1cccc(C)c1.
What is the InChIKey of 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is MFKVLHMOWWMHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-3-19(12-6-4-5-11(2)9-12)8-7-18-14(20)13-10-15(13,16)17/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78833214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).