N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide

C22H17F2NO3 — CID 8858867

IUPACN-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2c(OC(F)F)ccc3ccccc23)c1
InChIInChI=1S/C22H17F2NO3/c1-14(26)25-17-7-4-6-16(13-17)20(27)11-10-19-18-8-3-2-5-15(18)9-12-21(19)28-22(23)24/h2-13,22H,1H3,(H,25,26)/b11-10+
InChIKeyWQQDZYFPKBKRCD-ZHACJKMWSA-N
MW381.38 g/mol
LogP5.30
Rot. Bonds6

About N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide

N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide (PubChem CID 8858867) has the molecular formula C22H17F2NO3 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide
PubChem CID8858867
Molecular FormulaC22H17F2NO3
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC NameN-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2c(OC(F)F)ccc3ccccc23)c1
InChIInChI=1S/C22H17F2NO3/c1-14(26)25-17-7-4-6-16(13-17)20(27)11-10-19-18-8-3-2-5-15(18)9-12-21(19)28-22(23)24/h2-13,22H,1H3,(H,25,26)/b11-10+
InChIKeyWQQDZYFPKBKRCD-ZHACJKMWSA-N
XLogP5.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 7947701
N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 35745930
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N-[4-[(E)-3-[3-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 8827445
3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide
CID 22892049
N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 8858895
N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858757
(E)-1-(3-bromophenyl)-3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-en-1-one
CID 8832725
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
CID 10635746

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide (CID 8858867) is N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)/C=C/c2c(OC(F)F)ccc3ccccc23)c1.
What is the InChIKey of N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide?
The InChIKey is WQQDZYFPKBKRCD-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H17F2NO3/c1-14(26)25-17-7-4-6-16(13-17)20(27)11-10-19-18-8-3-2-5-15(18)9-12-21(19)28-22(23)24/h2-13,22H,1H3,(H,25,26)/b11-10+.
What are the key properties of N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide has a molecular weight of 381.38 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 8858867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).