(1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide

C15H13Cl2NO2 — CID 7386149

IUPAC(1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)[C@@]1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C15H13Cl2NO2/c16-15(17)10-14(15,11-5-2-1-3-6-11)13(19)18-9-12-7-4-8-20-12/h1-8H,9-10H2,(H,18,19)/t14-/m0/s1
InChIKeyUUCXDBMEKFHBOV-AWEZNQCLSA-N
MW310.18 g/mol
LogP3.41
Rot. Bonds4

About (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 7386149) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID7386149
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)[C@@]1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C15H13Cl2NO2/c16-15(17)10-14(15,11-5-2-1-3-6-11)13(19)18-9-12-7-4-8-20-12/h1-8H,9-10H2,(H,18,19)/t14-/m0/s1
InChIKeyUUCXDBMEKFHBOV-AWEZNQCLSA-N
XLogP3.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
1-N'-(2,6-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974715

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide (CID 7386149) is (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide is O=C(NCc1ccco1)[C@@]1(c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is UUCXDBMEKFHBOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-15(17)10-14(15,11-5-2-1-3-6-11)13(19)18-9-12-7-4-8-20-12/h1-8H,9-10H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-(furan-2-ylmethyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7386149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).