1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide

C11H12ClFN2O — CID 81179055

IUPAC1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C11H12ClFN2O/c12-8-3-2-7(6-9(8)13)15-10(16)11(14)4-1-5-11/h2-3,6H,1,4-5,14H2,(H,15,16)
InChIKeyXZXHSOWPCLFZJV-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.30
Rot. Bonds2

About 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide

1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 81179055) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID81179055
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C11H12ClFN2O/c12-8-3-2-7(6-9(8)13)15-10(16)11(14)4-1-5-11/h2-3,6H,1,4-5,14H2,(H,15,16)
InChIKeyXZXHSOWPCLFZJV-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119708317
1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide
CID 104778247
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
CID 65436937
1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119280057
1-amino-N-(4-chloro-3-nitrophenyl)cyclobutane-1-carboxamide
CID 81178722
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574361
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-[3-chloro-4-(dimethylamino)phenyl]cyclobutane-1-carboxamide
CID 81171852
5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid
CID 65464876
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 107574452

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide (CID 81179055) is 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide is NC1(C(=O)Nc2ccc(Cl)c(F)c2)CCC1.
What is the InChIKey of 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is XZXHSOWPCLFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-8-3-2-7(6-9(8)13)15-10(16)11(14)4-1-5-11/h2-3,6H,1,4-5,14H2,(H,15,16).
What are the key properties of 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide?
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 242.68 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81179055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).