1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide

C16H19Cl2NO2 — CID 111779691

IUPAC1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide
SMILESO=C(NCC1(O)CCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H19Cl2NO2/c17-12-4-3-11(9-13(12)18)16(7-2-8-16)14(20)19-10-15(21)5-1-6-15/h3-4,9,21H,1-2,5-8,10H2,(H,19,20)
InChIKeyQHRNNIJCEQSRCM-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.45
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide

1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide (PubChem CID 111779691) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide
PubChem CID111779691
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide
SMILESO=C(NCC1(O)CCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H19Cl2NO2/c17-12-4-3-11(9-13(12)18)16(7-2-8-16)14(20)19-10-15(21)5-1-6-15/h3-4,9,21H,1-2,5-8,10H2,(H,19,20)
InChIKeyQHRNNIJCEQSRCM-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119495916
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
CID 122146724
2-[4-[[[1-(3,4-dichlorophenyl)cyclobutanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698552
1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
CID 64865921
(2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 95774668
2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
CID 13279949
N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119515328
3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77022002

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide (CID 111779691) is 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide is O=C(NCC1(O)CCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is QHRNNIJCEQSRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c17-12-4-3-11(9-13(12)18)16(7-2-8-16)14(20)19-10-15(21)5-1-6-15/h3-4,9,21H,1-2,5-8,10H2,(H,19,20).
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide?
1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 328.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 111779691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).