1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide

C20H21FN2O2 — CID 53110556

IUPAC1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESCC(=O)Nc1ccc(C2(C(=O)NCc3ccc(F)cc3)CCC2)cc1
InChIInChI=1S/C20H21FN2O2/c1-14(24)23-18-9-5-16(6-10-18)20(11-2-12-20)19(25)22-13-15-3-7-17(21)8-4-15/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyKFQPUTJDJKAESU-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide

1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 53110556) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
PubChem CID53110556
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESCC(=O)Nc1ccc(C2(C(=O)NCc3ccc(F)cc3)CCC2)cc1
InChIInChI=1S/C20H21FN2O2/c1-14(24)23-18-9-5-16(6-10-18)20(11-2-12-20)19(25)22-13-15-3-7-17(21)8-4-15/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyKFQPUTJDJKAESU-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 53110383
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55961922
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110550
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
ethyl 2-[4-[1-(benzylcarbamoyl)cyclobutyl]anilino]-2-oxoacetate
CID 50827081

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide (CID 53110556) is 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide is CC(=O)Nc1ccc(C2(C(=O)NCc3ccc(F)cc3)CCC2)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is KFQPUTJDJKAESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14(24)23-18-9-5-16(6-10-18)20(11-2-12-20)19(25)22-13-15-3-7-17(21)8-4-15/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide?
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 53110556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).