N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide

C18H16Cl2FNO — CID 44556937

IUPACN-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide
SMILESCC(=O)NCCC(F)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2FNO/c1-12(23)22-11-10-17(21)18(13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyLSTRWQRITDBTLK-UHFFFAOYSA-N
MW352.24 g/mol
LogP5.25
Rot. Bonds5

About N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide

N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide (PubChem CID 44556937) has the molecular formula C18H16Cl2FNO and a molecular weight of 352.24 g/mol. Its IUPAC name is N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide
PubChem CID44556937
Molecular FormulaC18H16Cl2FNO
Molecular Weight352.24 g/mol
Exact Mass351.06
IUPAC NameN-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide
SMILESCC(=O)NCCC(F)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2FNO/c1-12(23)22-11-10-17(21)18(13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyLSTRWQRITDBTLK-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.24
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9877644
(2E)-3-(4-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 692389
(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 1122223
3-(4-chlorophenyl)-N-(1-methyl-2-phenylethyl)acrylamide
CID 5730637
N-[3-(3-chlorophenyl)propyl]acetamide
CID 10774874
N-[4-(4-chlorophenyl)butyl]-4-piperidin-1-ylbutanamide;hydrochloride
CID 73348065
3-(4-chlorophenyl)-N-(1-methyl-3-phenylpropyl)acrylamide
CID 5736873
2-((Bis(4-chlorophenyl)methyl)thio)-N-propylacetamide
CID 76332748
N-(1-(4-((4-Chlorophenyl)ethynyl)phenyl)propan-2-yl)acetamide
CID 56924958
Cinnamamide, N-allyl-4-chloro-alpha,beta-dimethyl-, (E)-
CID 3033177
Cinnamamide, N-allyl-4-chloro-alpha,beta-dimethyl-, (Z)-
CID 3033190

Frequently Asked Questions

What is the IUPAC name of N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide?
The IUPAC name of N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide (CID 44556937) is N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide.
What is the SMILES notation for N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide?
The canonical SMILES for N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide is CC(=O)NCCC(F)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide?
The InChIKey is LSTRWQRITDBTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO/c1-12(23)22-11-10-17(21)18(13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-9H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide?
N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide has a molecular weight of 352.24 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide is sourced from PubChem (CID 44556937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).