N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide

C14H19ClN2O — CID 113219502

IUPACN-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(12-4-2-3-5-13(12)15)16-8-9-17-14(18)11-6-7-11/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)
InChIKeyQYGHZWLLGPWRGX-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.52
Rot. Bonds6

About N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 113219502) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID113219502
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(12-4-2-3-5-13(12)15)16-8-9-17-14(18)11-6-7-11/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)
InChIKeyQYGHZWLLGPWRGX-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761
N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706405
methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane
CID 159889089
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113259819
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946
N-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 114910077
N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706429
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide (CID 113219502) is N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide is CC(NCCNC(=O)C1CC1)c1ccccc1Cl.
What is the InChIKey of N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is QYGHZWLLGPWRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(12-4-2-3-5-13(12)15)16-8-9-17-14(18)11-6-7-11/h2-5,10-11,16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113219502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).