N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide

C24H19ClN2O4 — CID 3576471

IUPACN-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)ccc1Cl
InChIInChI=1S/C24H19ClN2O4/c1-15-12-19(10-11-20(15)25)30-14-23(28)26-17-6-8-18(9-7-17)27-24(29)22-13-16-4-2-3-5-21(16)31-22/h2-13H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyNLTPELFJVLSWCB-UHFFFAOYSA-N
MW434.88 g/mol
LogP5.66
Rot. Bonds6

About N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide

N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 3576471) has the molecular formula C24H19ClN2O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID3576471
Molecular FormulaC24H19ClN2O4
Molecular Weight434.88 g/mol
Exact Mass434.10
IUPAC NameN-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)ccc1Cl
InChIInChI=1S/C24H19ClN2O4/c1-15-12-19(10-11-20(15)25)30-14-23(28)26-17-6-8-18(9-7-17)27-24(29)22-13-16-4-2-3-5-21(16)31-22/h2-13H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyNLTPELFJVLSWCB-UHFFFAOYSA-N
XLogP5.66
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.88
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide
CID 23966257
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide
CID 4212244
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776254
N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213374
N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22780436
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 17092069
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide (CID 3576471) is N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide is Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)ccc1Cl.
What is the InChIKey of N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NLTPELFJVLSWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4/c1-15-12-19(10-11-20(15)25)30-14-23(28)26-17-6-8-18(9-7-17)27-24(29)22-13-16-4-2-3-5-21(16)31-22/h2-13H,14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3576471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).