N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide

C19H19ClFN3O2 — CID 53110613

IUPACN-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
SMILESCNC(=O)Nc1ccc(C2(C(=O)Nc3ccc(F)c(Cl)c3)CCC2)cc1
InChIInChI=1S/C19H19ClFN3O2/c1-22-18(26)24-13-5-3-12(4-6-13)19(9-2-10-19)17(25)23-14-7-8-16(21)15(20)11-14/h3-8,11H,2,9-10H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyKLFDIIRFLIZJPR-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.29
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide

N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide (PubChem CID 53110613) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
PubChem CID53110613
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
SMILESCNC(=O)Nc1ccc(C2(C(=O)Nc3ccc(F)c(Cl)c3)CCC2)cc1
InChIInChI=1S/C19H19ClFN3O2/c1-22-18(26)24-13-5-3-12(4-6-13)19(9-2-10-19)17(25)23-14-7-8-16(21)15(20)11-14/h3-8,11H,2,9-10H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyKLFDIIRFLIZJPR-UHFFFAOYSA-N
XLogP4.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110621
2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 55674742
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871
2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide
CID 139013882
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 43000556
1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
CID 113216996
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
1-carbamothioyl-N-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxamide
CID 80592744

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide (CID 53110613) is N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide is CNC(=O)Nc1ccc(C2(C(=O)Nc3ccc(F)c(Cl)c3)CCC2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide?
The InChIKey is KLFDIIRFLIZJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-22-18(26)24-13-5-3-12(4-6-13)19(9-2-10-19)17(25)23-14-7-8-16(21)15(20)11-14/h3-8,11H,2,9-10H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 53110613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).