N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide

C17H18BrNO — CID 114758301

IUPACN-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H18BrNO/c18-10-9-17(7-8-17)12-19-16(20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyCGESIGFTXBINCE-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.13
Rot. Bonds5

About N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide

N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide (PubChem CID 114758301) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
PubChem CID114758301
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H18BrNO/c18-10-9-17(7-8-17)12-19-16(20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyCGESIGFTXBINCE-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 114758444
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758419
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114758224
N-propylnaphthalene-2-carboxamide
CID 6624536
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114758379
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-(1-adamantylmethyl)naphthalene-2-carboxamide
CID 4284451
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide (CID 114758301) is N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide is O=C(NCC1(CCBr)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide?
The InChIKey is CGESIGFTXBINCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-10-9-17(7-8-17)12-19-16(20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2,(H,19,20).
What are the key properties of N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide?
N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide has a molecular weight of 332.24 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 114758301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).