2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide

C17H14Cl2FNO — CID 110443081

IUPAC2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
SMILESO=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2FNO/c18-12-4-7-14(15(19)10-12)16(22)21-17(8-1-9-17)11-2-5-13(20)6-3-11/h2-7,10H,1,8-9H2,(H,21,22)
InChIKeyCTVUVBXHPWXSNJ-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.94
Rot. Bonds3

About 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide

2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide (PubChem CID 110443081) has the molecular formula C17H14Cl2FNO and a molecular weight of 338.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
PubChem CID110443081
Molecular FormulaC17H14Cl2FNO
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
SMILESO=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2FNO/c18-12-4-7-14(15(19)10-12)16(22)21-17(8-1-9-17)11-2-5-13(20)6-3-11/h2-7,10H,1,8-9H2,(H,21,22)
InChIKeyCTVUVBXHPWXSNJ-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
CID 138543815
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide
CID 47994300
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide (CID 110443081) is 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide is O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide?
The InChIKey is CTVUVBXHPWXSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO/c18-12-4-7-14(15(19)10-12)16(22)21-17(8-1-9-17)11-2-5-13(20)6-3-11/h2-7,10H,1,8-9H2,(H,21,22).
What are the key properties of 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide?
2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide has a molecular weight of 338.21 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide is sourced from PubChem (CID 110443081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).