1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide

C16H16ClNO3 — CID 86981034

IUPAC1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1ccco1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H16ClNO3/c17-12-4-1-3-11(9-12)16(6-7-16)15(20)18-10-13(19)14-5-2-8-21-14/h1-5,8-9,13,19H,6-7,10H2,(H,18,20)
InChIKeyQEJKLIWXVXRYMR-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.81
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide (PubChem CID 86981034) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
PubChem CID86981034
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1ccco1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H16ClNO3/c17-12-4-1-3-11(9-12)16(6-7-16)15(20)18-10-13(19)14-5-2-8-21-14/h1-5,8-9,13,19H,6-7,10H2,(H,18,20)
InChIKeyQEJKLIWXVXRYMR-UHFFFAOYSA-N
XLogP2.81
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111444311
1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 56812374
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111986702
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
CID 110904465
2-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methyltriazole-4-carboxamide
CID 78867509
1-(3-chlorophenyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111791815
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide (CID 86981034) is 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide is O=C(NCC(O)c1ccco1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
The InChIKey is QEJKLIWXVXRYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-12-4-1-3-11(9-12)16(6-7-16)15(20)18-10-13(19)14-5-2-8-21-14/h1-5,8-9,13,19H,6-7,10H2,(H,18,20).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86981034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).