N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide

C14H14ClNO2 — CID 115456089

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
SMILESO=C(NCC1(CCl)CC1)c1coc2ccccc12
InChIInChI=1S/C14H14ClNO2/c15-8-14(5-6-14)9-16-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,7H,5-6,8-9H2,(H,16,17)
InChIKeyWSRPSKQXHHNUQV-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.18
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide (PubChem CID 115456089) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
PubChem CID115456089
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
SMILESO=C(NCC1(CCl)CC1)c1coc2ccccc12
InChIInChI=1S/C14H14ClNO2/c15-8-14(5-6-14)9-16-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,7H,5-6,8-9H2,(H,16,17)
InChIKeyWSRPSKQXHHNUQV-UHFFFAOYSA-N
XLogP3.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.18
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-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide
CID 115364391
2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165190
N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
CID 115456005
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 119568451
N-[1-(chloromethyl)-3-methylcyclohexyl]-1-benzofuran-3-carboxamide
CID 114304149
N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide
CID 114147037
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
CID 113313447
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
CID 107730444
2-chloro-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 115456051

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide (CID 115456089) is N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide is O=C(NCC1(CCl)CC1)c1coc2ccccc12.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide?
The InChIKey is WSRPSKQXHHNUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-8-14(5-6-14)9-16-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,7H,5-6,8-9H2,(H,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide has a molecular weight of 263.72 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 115456089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).