4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide

C20H23ClN2O — CID 67114677

IUPAC4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide
SMILESCC(CCNC1CC1c1ccc(-c2ccc(Cl)cc2)cc1)C(N)=O
InChIInChI=1S/C20H23ClN2O/c1-13(20(22)24)10-11-23-19-12-18(19)16-4-2-14(3-5-16)15-6-8-17(21)9-7-15/h2-9,13,18-19,23H,10-12H2,1H3,(H2,22,24)
InChIKeyOISALKWUWHMLHG-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.96
Rot. Bonds7

About 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide

4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide (PubChem CID 67114677) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide.

Molecular Properties

Compound Name4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide
PubChem CID67114677
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide
SMILESCC(CCNC1CC1c1ccc(-c2ccc(Cl)cc2)cc1)C(N)=O
InChIInChI=1S/C20H23ClN2O/c1-13(20(22)24)10-11-23-19-12-18(19)16-4-2-14(3-5-16)15-6-8-17(21)9-7-15/h2-9,13,18-19,23H,10-12H2,1H3,(H2,22,24)
InChIKeyOISALKWUWHMLHG-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide
CID 52918685
2-[[(1S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]acetamide
CID 70907317
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]-4-phenylbenzamide;hydrochloride
CID 118411699
N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide
CID 59458340
N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxobutan-2-yl]-4-phenylbenzamide
CID 122488448
N-[(2S)-4-[[(1R,2S)-2-(4-methylphenyl)cyclopropyl]amino]-1-oxo-1-piperazin-1-ylbutan-2-yl]-2-(4-phenylphenyl)acetamide
CID 122494514
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide
CID 121266437
N-[(2S)-4-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]-4-(4-methylsulfonylphenyl)benzamide
CID 122460419
N-[4-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methyl-3-oxopiperazin-1-yl)-1-oxobutan-2-yl]-4-phenylbenzamide
CID 122460669
1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea
CID 97211780
N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-oxobutan-2-yl]-4-(4-methylsulfonylphenyl)benzamide
CID 122488468
2-[[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67370694

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide?
The IUPAC name of 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide (CID 67114677) is 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide.
What is the SMILES notation for 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide?
The canonical SMILES for 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide is CC(CCNC1CC1c1ccc(-c2ccc(Cl)cc2)cc1)C(N)=O.
What is the InChIKey of 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide?
The InChIKey is OISALKWUWHMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-13(20(22)24)10-11-23-19-12-18(19)16-4-2-14(3-5-16)15-6-8-17(21)9-7-15/h2-9,13,18-19,23H,10-12H2,1H3,(H2,22,24).
What are the key properties of 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide?
4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide has a molecular weight of 342.87 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]-2-methylbutanamide is sourced from PubChem (CID 67114677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).