N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide

C14H19IN2O — CID 113259819

IUPACN-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1ccc(I)cc1
InChIInChI=1S/C14H19IN2O/c1-10(11-4-6-13(15)7-5-11)16-8-9-17-14(18)12-2-3-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyBTLIPRGOZSQXEL-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.47
Rot. Bonds6

About N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 113259819) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID113259819
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC NameN-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1ccc(I)cc1
InChIInChI=1S/C14H19IN2O/c1-10(11-4-6-13(15)7-5-11)16-8-9-17-14(18)12-2-3-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyBTLIPRGOZSQXEL-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761
N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115905342
N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371
N-[2-[1-(3-nitrophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115574213
N-[2-[1-(4-fluorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115641196
N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115697061
N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
CID 63448536
N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706429
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide (CID 113259819) is N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide is CC(NCCNC(=O)C1CC1)c1ccc(I)cc1.
What is the InChIKey of N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is BTLIPRGOZSQXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-10(11-4-6-13(15)7-5-11)16-8-9-17-14(18)12-2-3-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 358.22 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113259819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).