N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide

C23H26Cl4N2O — CID 10277951

IUPACN-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC(Cc1ccc(Cl)c(Cl)c1)CN1CCCCCC1
InChIInChI=1S/C23H26Cl4N2O/c24-19-7-5-16(12-21(19)26)11-18(15-29-9-3-1-2-4-10-29)28-23(30)14-17-6-8-20(25)22(27)13-17/h5-8,12-13,18H,1-4,9-11,14-15H2,(H,28,30)
InChIKeyMVWBDNZZRJCFDP-UHFFFAOYSA-N
MW488.29 g/mol
LogP6.45
Rot. Bonds7

About N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide

N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 10277951) has the molecular formula C23H26Cl4N2O and a molecular weight of 488.29 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID10277951
Molecular FormulaC23H26Cl4N2O
Molecular Weight488.29 g/mol
Exact Mass486.08
IUPAC NameN-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC(Cc1ccc(Cl)c(Cl)c1)CN1CCCCCC1
InChIInChI=1S/C23H26Cl4N2O/c24-19-7-5-16(12-21(19)26)11-18(15-29-9-3-1-2-4-10-29)28-23(30)14-17-6-8-20(25)22(27)13-17/h5-8,12-13,18H,1-4,9-11,14-15H2,(H,28,30)
InChIKeyMVWBDNZZRJCFDP-UHFFFAOYSA-N
XLogP6.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.29
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 70279089
2-(4-chlorophenoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 137419296
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrobromide
CID 67865145
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505108
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(3,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575166
2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide
CID 18938999
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]octanamide
CID 70230572
N-[(2S)-1-(4-chlorophenyl)-3-pyrrolidin-1-ylpropan-2-yl]-5-(4-hydroxyphenyl)-5-oxopentanamide
CID 70280470

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide (CID 10277951) is N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NC(Cc1ccc(Cl)c(Cl)c1)CN1CCCCCC1.
What is the InChIKey of N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is MVWBDNZZRJCFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl4N2O/c24-19-7-5-16(12-21(19)26)11-18(15-29-9-3-1-2-4-10-29)28-23(30)14-17-6-8-20(25)22(27)13-17/h5-8,12-13,18H,1-4,9-11,14-15H2,(H,28,30).
What are the key properties of N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide?
N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 488.29 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-3-(3,4-dichlorophenyl)propan-2-yl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 10277951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).