trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide

C18H18FNO2 — CID 41036811

IUPACtrans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-11-7-8-17(22-2)16(9-11)20-18(21)14-10-13(14)12-5-3-4-6-15(12)19/h3-9,13-14H,10H2,1-2H3,(H,20,21)/t13-,14+/m1/s1
InChIKeyRTDCNLLOQNWWLM-KGLIPLIRSA-N
MW299.35 g/mol
LogP3.88
Rot. Bonds4

About trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 41036811) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
PubChem CID41036811
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Nametrans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-11-7-8-17(22-2)16(9-11)20-18(21)14-10-13(14)12-5-3-4-6-15(12)19/h3-9,13-14H,10H2,1-2H3,(H,20,21)/t13-,14+/m1/s1
InChIKeyRTDCNLLOQNWWLM-KGLIPLIRSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoate
CID 97184245
2-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
CID 55477032
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55584408
cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 51458730
N-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55906811
N-(2-chlorophenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134055525
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
1-N-(5-chloro-2-methoxyphenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141518
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131920

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide (CID 41036811) is trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide is COc1ccc(C)cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1F.
What is the InChIKey of trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is RTDCNLLOQNWWLM-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-11-7-8-17(22-2)16(9-11)20-18(21)14-10-13(14)12-5-3-4-6-15(12)19/h3-9,13-14H,10H2,1-2H3,(H,20,21)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 41036811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).