N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide

C19H21ClN2O3 — CID 55593629

IUPACN-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)CCNC(=O)c1ccco1)C1CC1
InChIInChI=1S/C19H21ClN2O3/c1-13(14-4-6-15(20)7-5-14)22(16-8-9-16)18(23)10-11-21-19(24)17-3-2-12-25-17/h2-7,12-13,16H,8-11H2,1H3,(H,21,24)
InChIKeyYPRBRNHJHVDSSZ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.81
Rot. Bonds7

About N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide

N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 55593629) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID55593629
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)CCNC(=O)c1ccco1)C1CC1
InChIInChI=1S/C19H21ClN2O3/c1-13(14-4-6-15(20)7-5-14)22(16-8-9-16)18(23)10-11-21-19(24)17-3-2-12-25-17/h2-7,12-13,16H,8-11H2,1H3,(H,21,24)
InChIKeyYPRBRNHJHVDSSZ-UHFFFAOYSA-N
XLogP3.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
CID 86926361
N-[4-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55594328
N-[3-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 110004386
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 109388581
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909258
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2525635
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4805945
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide
CID 71684755
N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxopropyl]furan-2-carboxamide
CID 17407014
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 25479336
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]furan-2-carboxamide
CID 40919026
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide (CID 55593629) is N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide is CC(c1ccc(Cl)cc1)N(C(=O)CCNC(=O)c1ccco1)C1CC1.
What is the InChIKey of N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is YPRBRNHJHVDSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(14-4-6-15(20)7-5-14)22(16-8-9-16)18(23)10-11-21-19(24)17-3-2-12-25-17/h2-7,12-13,16H,8-11H2,1H3,(H,21,24).
What are the key properties of N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 55593629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).