N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide

C15H20Cl2N2O — CID 119495916

IUPACN-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
SMILESCC(N)CCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(18)5-8-19-14(20)15(6-2-7-15)11-3-4-12(16)13(17)9-11/h3-4,9-10H,2,5-8,18H2,1H3,(H,19,20)
InChIKeyPUJUUZALIDDWRV-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.27
Rot. Bonds5

About N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide

N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide (PubChem CID 119495916) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
PubChem CID119495916
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
SMILESCC(N)CCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(18)5-8-19-14(20)15(6-2-7-15)11-3-4-12(16)13(17)9-11/h3-4,9-10H,2,5-8,18H2,1H3,(H,19,20)
InChIKeyPUJUUZALIDDWRV-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 111779691
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
CID 122146724
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384098
N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119515328
2-[4-[[[1-(3,4-dichlorophenyl)cyclobutanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698552
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide (CID 119495916) is N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide is CC(N)CCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide?
The InChIKey is PUJUUZALIDDWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(18)5-8-19-14(20)15(6-2-7-15)11-3-4-12(16)13(17)9-11/h3-4,9-10H,2,5-8,18H2,1H3,(H,19,20).
What are the key properties of N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide?
N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 119495916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).