cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide

C19H18F2N2O2 — CID 95979961

IUPACcis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H18F2N2O2/c1-22-18(24)8-11-2-5-13(6-3-11)23-19(25)16-10-15(16)14-7-4-12(20)9-17(14)21/h2-7,9,15-16H,8,10H2,1H3,(H,22,24)(H,23,25)/t15-,16-/m0/s1
InChIKeyVWKVHNFDRJUQTL-HOTGVXAUSA-N
MW344.36 g/mol
LogP3.00
Rot. Bonds5

About cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 95979961) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID95979961
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Namecis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H18F2N2O2/c1-22-18(24)8-11-2-5-13(6-3-11)23-19(25)16-10-15(16)14-7-4-12(20)9-17(14)21/h2-7,9,15-16H,8,10H2,1H3,(H,22,24)(H,23,25)/t15-,16-/m0/s1
InChIKeyVWKVHNFDRJUQTL-HOTGVXAUSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

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CID 11942
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CID 67096018
4',4''-Methylenebis(acetanilide)
CID 94990
2,2-Diphenylacetanilide
CID 252606
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Leucinamide
CID 445369
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 9908450
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 10200425
N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}propanamide
CID 10905508
N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10971179
9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide
CID 25023793
Ketoamide, 12
CID 25023794

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide (CID 95979961) is cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide is CNC(=O)Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1.
What is the InChIKey of cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is VWKVHNFDRJUQTL-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-22-18(24)8-11-2-5-13(6-3-11)23-19(25)16-10-15(16)14-7-4-12(20)9-17(14)21/h2-7,9,15-16H,8,10H2,1H3,(H,22,24)(H,23,25)/t15-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95979961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).