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

C14H18Cl2N2O — CID 78876459

IUPAC2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1CC1(Cl)Cl)N(C)c1ccccc1
InChIInChI=1S/C14H18Cl2N2O/c1-10(18(2)11-6-4-3-5-7-11)9-17-13(19)12-8-14(12,15)16/h3-7,10,12H,8-9H2,1-2H3,(H,17,19)
InChIKeyHVHBLSQWEVEELP-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.82
Rot. Bonds5

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

2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide (PubChem CID 78876459) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide
PubChem CID78876459
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1CC1(Cl)Cl)N(C)c1ccccc1
InChIInChI=1S/C14H18Cl2N2O/c1-10(18(2)11-6-4-3-5-7-11)9-17-13(19)12-8-14(12,15)16/h3-7,10,12H,8-9H2,1-2H3,(H,17,19)
InChIKeyHVHBLSQWEVEELP-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.82
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

N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98365932
2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 102562600
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122170
(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 96545860
N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876458
3-(N-methylanilino)butanoic acid
CID 72755664
4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 86990770
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
CID 75493772
N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941241
4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide
CID 47056970

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide (CID 78876459) is 2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide is CC(CNC(=O)C1CC1(Cl)Cl)N(C)c1ccccc1.
What is the InChIKey of 2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide?
The InChIKey is HVHBLSQWEVEELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-10(18(2)11-6-4-3-5-7-11)9-17-13(19)12-8-14(12,15)16/h3-7,10,12H,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 2.82, 5 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-methylanilino)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78876459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).