N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide

C27H18ClNO4 — CID 3635368

IUPACN-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1
InChIInChI=1S/C27H18ClNO4/c28-23-15-19(12-13-21(23)22-14-18-7-2-4-10-24(18)33-27(22)31)29-26(30)16-32-25-11-5-8-17-6-1-3-9-20(17)25/h1-15H,16H2,(H,29,30)
InChIKeyRGJDKEZZLBENSN-UHFFFAOYSA-N
MW455.90 g/mol
LogP6.28
Rot. Bonds5

About N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide

N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 3635368) has the molecular formula C27H18ClNO4 and a molecular weight of 455.90 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
PubChem CID3635368
Molecular FormulaC27H18ClNO4
Molecular Weight455.90 g/mol
Exact Mass455.09
IUPAC NameN-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1
InChIInChI=1S/C27H18ClNO4/c28-23-15-19(12-13-21(23)22-14-18-7-2-4-10-24(18)33-27(22)31)29-26(30)16-32-25-11-5-8-17-6-1-3-9-20(17)25/h1-15H,16H2,(H,29,30)
InChIKeyRGJDKEZZLBENSN-UHFFFAOYSA-N
XLogP6.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.90
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide
CID 4212244
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]hexanamide
CID 4562851
N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22780436
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
3-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 2222008
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-1-yloxyacetamide
CID 21214904
2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide
CID 23966257
2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 1221790
4-chloro-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 5026512

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide (CID 3635368) is N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is RGJDKEZZLBENSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClNO4/c28-23-15-19(12-13-21(23)22-14-18-7-2-4-10-24(18)33-27(22)31)29-26(30)16-32-25-11-5-8-17-6-1-3-9-20(17)25/h1-15H,16H2,(H,29,30).
What are the key properties of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 455.90 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 3635368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).