N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide

C14H19BrN2O — CID 113246946

IUPACN-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-10(12-3-2-4-13(15)9-12)16-7-8-17-14(18)11-5-6-11/h2-4,9-11,16H,5-8H2,1H3,(H,17,18)
InChIKeyJTQYUEPSHTWZKG-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.63
Rot. Bonds6

About N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 113246946) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID113246946
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-10(12-3-2-4-13(15)9-12)16-7-8-17-14(18)11-5-6-11/h2-4,9-11,16H,5-8H2,1H3,(H,17,18)
InChIKeyJTQYUEPSHTWZKG-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.63
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-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115905342
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371
N-[2-[1-(3-nitrophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115574213
N-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]cyclopropanecarboxamide
CID 115596586
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113259819
4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81376555
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761
4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanoic acid
CID 81382738
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide (CID 113246946) is N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide is CC(NCCNC(=O)C1CC1)c1cccc(Br)c1.
What is the InChIKey of N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is JTQYUEPSHTWZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(12-3-2-4-13(15)9-12)16-7-8-17-14(18)11-5-6-11/h2-4,9-11,16H,5-8H2,1H3,(H,17,18).
What are the key properties of N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113246946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).