N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide

C11H14ClNO2 — CID 114758169

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide
SMILESO=C(NCC1(CCCl)CC1)c1ccoc1
InChIInChI=1S/C11H14ClNO2/c12-5-4-11(2-3-11)8-13-10(14)9-1-6-15-7-9/h1,6-7H,2-5,8H2,(H,13,14)
InChIKeyPWACACQDJXGRHP-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.42
Rot. Bonds5

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide (PubChem CID 114758169) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide
PubChem CID114758169
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide
SMILESO=C(NCC1(CCCl)CC1)c1ccoc1
InChIInChI=1S/C11H14ClNO2/c12-5-4-11(2-3-11)8-13-10(14)9-1-6-15-7-9/h1,6-7H,2-5,8H2,(H,13,14)
InChIKeyPWACACQDJXGRHP-UHFFFAOYSA-N
XLogP2.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.42
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-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
CID 114303305
N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 103848998
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
CID 97042651
N-[(2-methylpyrrolidin-2-yl)methyl]furan-3-carboxamide
CID 114761851
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 114758092
N-[(1-thiophen-3-ylcyclopentyl)methyl]furan-3-carboxamide
CID 86263777
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
CID 71804880
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
CID 114757910

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide (CID 114758169) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide is O=C(NCC1(CCCl)CC1)c1ccoc1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide?
The InChIKey is PWACACQDJXGRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-5-4-11(2-3-11)8-13-10(14)9-1-6-15-7-9/h1,6-7H,2-5,8H2,(H,13,14).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 114758169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).