2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide

C26H27FN2O2 — CID 8906311

IUPAC2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c2ccccc2)cc1
InChIInChI=1S/C26H27FN2O2/c1-31-24-15-9-21(10-16-24)26(20-5-3-2-4-6-20)28-25(30)18-29(23-13-14-23)17-19-7-11-22(27)12-8-19/h2-12,15-16,23,26H,13-14,17-18H2,1H3,(H,28,30)/t26-/m0/s1
InChIKeyGCDLBLJPAVPLAS-SANMLTNESA-N
MW418.51 g/mol
LogP4.70
Rot. Bonds9

About 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 8906311) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID8906311
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c2ccccc2)cc1
InChIInChI=1S/C26H27FN2O2/c1-31-24-15-9-21(10-16-24)26(20-5-3-2-4-6-20)28-25(30)18-29(23-13-14-23)17-19-7-11-22(27)12-8-19/h2-12,15-16,23,26H,13-14,17-18H2,1H3,(H,28,30)/t26-/m0/s1
InChIKeyGCDLBLJPAVPLAS-SANMLTNESA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040
2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18267543
N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 18088736
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 40702585
N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770815
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide (CID 8906311) is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide is COc1ccc([C@@H](NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is GCDLBLJPAVPLAS-SANMLTNESA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-31-24-15-9-21(10-16-24)26(20-5-3-2-4-6-20)28-25(30)18-29(23-13-14-23)17-19-7-11-22(27)12-8-19/h2-12,15-16,23,26H,13-14,17-18H2,1H3,(H,28,30)/t26-/m0/s1.
What are the key properties of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 418.51 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 8906311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).