trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide

C19H19F2NO — CID 118160761

IUPACtrans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
SMILESCc1cc(F)c(F)cc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C
InChIInChI=1S/C19H19F2NO/c1-11-9-13(20)14(21)10-15(11)22-18(23)17-16(19(17,2)3)12-7-5-4-6-8-12/h4-10,16-17H,1-3H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyGPAQBIXBAZVBCB-SJORKVTESA-N
MW315.36 g/mol
LogP4.65
Rot. Bonds3

About trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide

trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide (PubChem CID 118160761) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
PubChem CID118160761
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Nametrans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
SMILESCc1cc(F)c(F)cc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C
InChIInChI=1S/C19H19F2NO/c1-11-9-13(20)14(21)10-15(11)22-18(23)17-16(19(17,2)3)12-7-5-4-6-8-12/h4-10,16-17H,1-3H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyGPAQBIXBAZVBCB-SJORKVTESA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
CID 118160732
2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide
CID 4590614
(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 144562744
2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 118160738
1-[(1S,3S)-2,2-dimethyl-3-phenylcyclopropyl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 147747771
trans-(1S,3S)-3-(3-fluoro-4-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178202838
trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033280
3-[(3,4-difluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837269
4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride
CID 160850173
trans-(1R,3R)-N-(diaminomethylidene)-3-(4-fluoro-3-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 11057914
N-(4-fluoro-2-methyl-5-phenylphenyl)acetamide
CID 70668820
N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide (CID 118160761) is trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide is Cc1cc(F)c(F)cc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C.
What is the InChIKey of trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide?
The InChIKey is GPAQBIXBAZVBCB-SJORKVTESA-N. The full InChI is InChI=1S/C19H19F2NO/c1-11-9-13(20)14(21)10-15(11)22-18(23)17-16(19(17,2)3)12-7-5-4-6-8-12/h4-10,16-17H,1-3H3,(H,22,23)/t16-,17+/m1/s1.
What are the key properties of trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide?
trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 4.65, 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-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 118160761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).