N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide

C20H22ClFN2O — CID 51965688

IUPACN-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](c1ccccc1F)N(CC(=O)NCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H22ClFN2O/c1-14(18-4-2-3-5-19(18)22)24(17-10-11-17)13-20(25)23-12-15-6-8-16(21)9-7-15/h2-9,14,17H,10-13H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyBPOSAIWKUDEOKF-AWEZNQCLSA-N
MW360.86 g/mol
LogP4.32
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide (PubChem CID 51965688) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide
PubChem CID51965688
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](c1ccccc1F)N(CC(=O)NCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H22ClFN2O/c1-14(18-4-2-3-5-19(18)22)24(17-10-11-17)13-20(25)23-12-15-6-8-16(21)9-7-15/h2-9,14,17H,10-13H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyBPOSAIWKUDEOKF-AWEZNQCLSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-2-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]acetamide
CID 56525295
2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 95294341
N-[(4-chlorophenyl)methyl]-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60967771
[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 99780599
3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60838351
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
CID 56525381
N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
N-[(4-chlorophenyl)methyl]-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692542
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113158842
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide (CID 51965688) is N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide is C[C@@H](c1ccccc1F)N(CC(=O)NCc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide?
The InChIKey is BPOSAIWKUDEOKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-14(18-4-2-3-5-19(18)22)24(17-10-11-17)13-20(25)23-12-15-6-8-16(21)9-7-15/h2-9,14,17H,10-13H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide has a molecular weight of 360.86 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 51965688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).