N-(chloromethyl)cyclobutanecarboxamide

C6H10ClNO — CID 69083699

IUPACN-(chloromethyl)cyclobutanecarboxamide
SMILESO=C(NCCl)C1CCC1
InChIInChI=1S/C6H10ClNO/c7-4-8-6(9)5-2-1-3-5/h5H,1-4H2,(H,8,9)
InChIKeyKUMOXSZDHZLEAX-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.10
Rot. Bonds2

About N-(chloromethyl)cyclobutanecarboxamide

N-(chloromethyl)cyclobutanecarboxamide (PubChem CID 69083699) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is N-(chloromethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(chloromethyl)cyclobutanecarboxamide
PubChem CID69083699
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC NameN-(chloromethyl)cyclobutanecarboxamide
SMILESO=C(NCCl)C1CCC1
InChIInChI=1S/C6H10ClNO/c7-4-8-6(9)5-2-1-3-5/h5H,1-4H2,(H,8,9)
InChIKeyKUMOXSZDHZLEAX-UHFFFAOYSA-N
XLogP1.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
N'-(2-chloroacetyl)cyclobutanecarbohydrazide
CID 52908224
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide
CID 131020411
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide
CID 114306556
N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
CID 115676200

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)cyclobutanecarboxamide?
The IUPAC name of N-(chloromethyl)cyclobutanecarboxamide (CID 69083699) is N-(chloromethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(chloromethyl)cyclobutanecarboxamide?
The canonical SMILES for N-(chloromethyl)cyclobutanecarboxamide is O=C(NCCl)C1CCC1.
What is the InChIKey of N-(chloromethyl)cyclobutanecarboxamide?
The InChIKey is KUMOXSZDHZLEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c7-4-8-6(9)5-2-1-3-5/h5H,1-4H2,(H,8,9).
What are the key properties of N-(chloromethyl)cyclobutanecarboxamide?
N-(chloromethyl)cyclobutanecarboxamide has a molecular weight of 147.60 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)cyclobutanecarboxamide is sourced from PubChem (CID 69083699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).