5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide

C12H15ClN2O3 — CID 82110990

IUPAC5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc(CCl)o1)NC1CC1
InChIInChI=1S/C12H15ClN2O3/c13-7-9-3-4-10(18-9)12(17)14-6-5-11(16)15-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,14,17)(H,15,16)
InChIKeyAFVRIMXVIUWQEQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.42
Rot. Bonds6

About 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide

5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 82110990) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide
PubChem CID82110990
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc(CCl)o1)NC1CC1
InChIInChI=1S/C12H15ClN2O3/c13-7-9-3-4-10(18-9)12(17)14-6-5-11(16)15-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,14,17)(H,15,16)
InChIKeyAFVRIMXVIUWQEQ-UHFFFAOYSA-N
XLogP1.42
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 82108858
N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606885
5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
CID 113432372
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 81245479
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
5-(azidomethyl)-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 134162799
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide (CID 82110990) is 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccc(CCl)o1)NC1CC1.
What is the InChIKey of 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is AFVRIMXVIUWQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-7-9-3-4-10(18-9)12(17)14-6-5-11(16)15-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,14,17)(H,15,16).
What are the key properties of 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide?
5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 82110990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).