N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide

C15H14ClNO2 — CID 3472985

IUPACN-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCCl)C1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C15H14ClNO2/c16-7-8-17-15(18)14-9-12-11-4-2-1-3-10(11)5-6-13(12)19-14/h1-6,14H,7-9H2,(H,17,18)
InChIKeyNVHBUVISLQXQMY-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.50
Rot. Bonds3

About N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide

N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide (PubChem CID 3472985) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
PubChem CID3472985
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCCl)C1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C15H14ClNO2/c16-7-8-17-15(18)14-9-12-11-4-2-1-3-10(11)5-6-13(12)19-14/h1-6,14H,7-9H2,(H,17,18)
InChIKeyNVHBUVISLQXQMY-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.50
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

(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide
CID 6933934
N-(3-imidazol-1-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
CID 4637422
(4-bromophenyl)-[(2S)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methanone
CID 162647542
[(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone
CID 51036319
2-benzyl-1,2-dihydrobenzo[e][1]benzofuran
CID 13432982
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117074334
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114149349
N-(2-chloroethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396131
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide (CID 3472985) is N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide is O=C(NCCCl)C1Cc2c(ccc3ccccc23)O1.
What is the InChIKey of N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The InChIKey is NVHBUVISLQXQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-7-8-17-15(18)14-9-12-11-4-2-1-3-10(11)5-6-13(12)19-14/h1-6,14H,7-9H2,(H,17,18).
What are the key properties of N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 3472985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).