trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide

C19H20FNO — CID 118160732

IUPACtrans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C
InChIInChI=1S/C19H20FNO/c1-12-9-10-14(20)11-15(12)21-18(22)17-16(19(17,2)3)13-7-5-4-6-8-13/h4-11,16-17H,1-3H3,(H,21,22)/t16-,17+/m1/s1
InChIKeyDCRZYTOSOWIDAU-SJORKVTESA-N
MW297.37 g/mol
LogP4.51
Rot. Bonds3

About trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide

trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide (PubChem CID 118160732) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
PubChem CID118160732
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Nametrans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C
InChIInChI=1S/C19H20FNO/c1-12-9-10-14(20)11-15(12)21-18(22)17-16(19(17,2)3)13-7-5-4-6-8-13/h4-11,16-17H,1-3H3,(H,21,22)/t16-,17+/m1/s1
InChIKeyDCRZYTOSOWIDAU-SJORKVTESA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
CID 118160761
1-[(1S,3S)-2,2-dimethyl-3-phenylcyclopropyl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 147747771
(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 118160738
N-(5-fluoro-2-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013638
5-(3-chlorophenyl)-N-(5-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 74623810
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
(1S,2R,3R,4S)-3-[(5-fluoro-2-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98212966
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
cis-(1R,3S)-3-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091551

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide (CID 118160732) is trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide is Cc1ccc(F)cc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C.
What is the InChIKey of trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide?
The InChIKey is DCRZYTOSOWIDAU-SJORKVTESA-N. The full InChI is InChI=1S/C19H20FNO/c1-12-9-10-14(20)11-15(12)21-18(22)17-16(19(17,2)3)13-7-5-4-6-8-13/h4-11,16-17H,1-3H3,(H,21,22)/t16-,17+/m1/s1.
What are the key properties of trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide?
trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide has a molecular weight of 297.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 118160732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).