(4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone

C23H26F2N2O — CID 169240002

IUPAC(4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone
SMILESCC1CC(N)CCCN1C(=O)C1CC1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C23H26F2N2O/c1-14-12-15(26)6-5-11-27(14)23(28)19-13-18(19)16-7-2-3-8-17(16)22-20(24)9-4-10-21(22)25/h2-4,7-10,14-15,18-19H,5-6,11-13,26H2,1H3
InChIKeyQFAVRTLPSAHSQC-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.46
Rot. Bonds3

About (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone

(4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone (PubChem CID 169240002) has the molecular formula C23H26F2N2O and a molecular weight of 384.47 g/mol. Its IUPAC name is (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone
PubChem CID169240002
Molecular FormulaC23H26F2N2O
Molecular Weight384.47 g/mol
Exact Mass384.20
IUPAC Name(4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone
SMILESCC1CC(N)CCCN1C(=O)C1CC1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C23H26F2N2O/c1-14-12-15(26)6-5-11-27(14)23(28)19-13-18(19)16-7-2-3-8-17(16)22-20(24)9-4-10-21(22)25/h2-4,7-10,14-15,18-19H,5-6,11-13,26H2,1H3
InChIKeyQFAVRTLPSAHSQC-UHFFFAOYSA-N
XLogP4.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine
CID 170293937
N-[(3R,4S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methylazepan-4-yl]methanesulfonamide
CID 176848728
N-[1-[1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]ethyl]ethanesulfonamide
CID 174141718
[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[3-(ethylsulfanyliminomethyl)piperidin-1-yl]methanone
CID 174141636
N-[(3S)-4-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methyl-1,4-oxazepan-6-yl]methanesulfonamide
CID 176848813
[2-[(2R)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]ethynylamino]-methyl-oxidosulfanium
CID 174141721
1-bromo-N-[(3S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849010
N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide
CID 176848720
[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[4-hydroxy-3-(methylsulfanyliminomethyl)piperidin-1-yl]methanone
CID 174141655
(2R)-1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370659
N-[(3R)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]methanesulfonamide
CID 176849050
N-[(3S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide
CID 176848761

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone?
The IUPAC name of (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone (CID 169240002) is (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone is CC1CC(N)CCCN1C(=O)C1CC1c1ccccc1-c1c(F)cccc1F.
What is the InChIKey of (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone?
The InChIKey is QFAVRTLPSAHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O/c1-14-12-15(26)6-5-11-27(14)23(28)19-13-18(19)16-7-2-3-8-17(16)22-20(24)9-4-10-21(22)25/h2-4,7-10,14-15,18-19H,5-6,11-13,26H2,1H3.
What are the key properties of (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone?
(4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone has a molecular weight of 384.47 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 169240002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).