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

C19H21ClN2O3 — CID 86926361

IUPACN-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(c1ccccc1Cl)N(C(=O)CCNC(=O)c1ccco1)C1CC1
InChIInChI=1S/C19H21ClN2O3/c1-13(15-5-2-3-6-16(15)20)22(14-8-9-14)18(23)10-11-21-19(24)17-7-4-12-25-17/h2-7,12-14H,8-11H2,1H3,(H,21,24)
InChIKeyRNIOEHXCWOKFDU-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.81
Rot. Bonds7

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

N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 86926361) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID86926361
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(c1ccccc1Cl)N(C(=O)CCNC(=O)c1ccco1)C1CC1
InChIInChI=1S/C19H21ClN2O3/c1-13(15-5-2-3-6-16(15)20)22(14-8-9-14)18(23)10-11-21-19(24)17-7-4-12-25-17/h2-7,12-14H,8-11H2,1H3,(H,21,24)
InChIKeyRNIOEHXCWOKFDU-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

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Related Compounds

N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
CID 55593629
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 109388581
N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide
CID 42943329
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 35043208
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2525635
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
3-(furan-2-carbonylamino)propanoic acid
CID 762504
(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 46796022
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropylcyclopentane-1-carboxamide;hydrochloride
CID 119715144
N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 3221380
N-(2-cyclopropylpropyl)furan-2-carboxamide
CID 115591186

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide (CID 86926361) is N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide is CC(c1ccccc1Cl)N(C(=O)CCNC(=O)c1ccco1)C1CC1.
What is the InChIKey of N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is RNIOEHXCWOKFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(15-5-2-3-6-16(15)20)22(14-8-9-14)18(23)10-11-21-19(24)17-7-4-12-25-17/h2-7,12-14H,8-11H2,1H3,(H,21,24).
What are the key properties of N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[1-(2-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-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 86926361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).