2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide

C11H13ClN2O3 — CID 106687186

IUPAC2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Cl)C(=O)NC1CC1
InChIInChI=1S/C11H13ClN2O3/c1-6(10(15)14-7-2-3-7)13-11(16)8-4-5-17-9(8)12/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyVQTYSWRVJZOOIB-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.33
Rot. Bonds4

About 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide

2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 106687186) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID106687186
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Cl)C(=O)NC1CC1
InChIInChI=1S/C11H13ClN2O3/c1-6(10(15)14-7-2-3-7)13-11(16)8-4-5-17-9(8)12/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyVQTYSWRVJZOOIB-UHFFFAOYSA-N
XLogP1.33
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106854282
2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106688386
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 55739288
2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106683293
ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106685563
4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 112817108
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
2-chloro-N-(2-methylcyclohexyl)furan-3-carboxamide
CID 106685279
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 107676814
2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide
CID 106812109
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide (CID 106687186) is 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1Cl)C(=O)NC1CC1.
What is the InChIKey of 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is VQTYSWRVJZOOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-6(10(15)14-7-2-3-7)13-11(16)8-4-5-17-9(8)12/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 106687186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).