trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

C18H16ClFN2O2 — CID 30461454

IUPACtrans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C18H16ClFN2O2/c1-10(23)21-17-7-6-13(8-16(17)19)22-18(24)15-9-14(15)11-2-4-12(20)5-3-11/h2-8,14-15H,9H2,1H3,(H,21,23)(H,22,24)/t14-,15+/m0/s1
InChIKeyFUKXMHMSDHJOEU-LSDHHAIUSA-N
MW346.79 g/mol
LogP4.18
Rot. Bonds4

About trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 30461454) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID30461454
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Nametrans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C18H16ClFN2O2/c1-10(23)21-17-7-6-13(8-16(17)19)22-18(24)15-9-14(15)11-2-4-12(20)5-3-11/h2-8,14-15H,9H2,1H3,(H,21,23)(H,22,24)/t14-,15+/m0/s1
InChIKeyFUKXMHMSDHJOEU-LSDHHAIUSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677
N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119700281
N-(3-acetamido-4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134050960
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
N-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55476894
2-N-(3,4-dichlorophenyl)-1-N-(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144113
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 52528491
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564617

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 30461454) is trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1Cl.
What is the InChIKey of trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is FUKXMHMSDHJOEU-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-10(23)21-17-7-6-13(8-16(17)19)22-18(24)15-9-14(15)11-2-4-12(20)5-3-11/h2-8,14-15H,9H2,1H3,(H,21,23)(H,22,24)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 30461454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).