trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide

C15H20ClNO — CID 746777

IUPACtrans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-10(2)3-4-11-9-14(11)15(18)17-13-7-5-12(16)6-8-13/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyCIUXGCQJWQXVRS-RISCZKNCSA-N
MW265.78 g/mol
LogP4.35
Rot. Bonds5

About trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide

trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide (PubChem CID 746777) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide
PubChem CID746777
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Nametrans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-10(2)3-4-11-9-14(11)15(18)17-13-7-5-12(16)6-8-13/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyCIUXGCQJWQXVRS-RISCZKNCSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide
CID 40530124
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139952
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
2-N-(4-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140926
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide
CID 832649
2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873752
1-N-(2-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142354
N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide
CID 171978642

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide (CID 746777) is trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide is CC(C)CC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide?
The InChIKey is CIUXGCQJWQXVRS-RISCZKNCSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10(2)3-4-11-9-14(11)15(18)17-13-7-5-12(16)6-8-13/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,17,18)/t11-,14+/m1/s1.
What are the key properties of trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide?
trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide has a molecular weight of 265.78 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 746777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).