N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

C22H17NO4 — CID 108790263

IUPACN-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCc4ccco4)cc3)cc(=O)c2c1
InChIInChI=1S/C22H17NO4/c1-14-4-9-20-18(11-14)19(24)12-21(27-20)15-5-7-16(8-6-15)22(25)23-13-17-3-2-10-26-17/h2-12H,13H2,1H3,(H,23,25)
InChIKeyWYMZQRJZFCDKOI-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.29
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108790263) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108790263
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC NameN-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCc4ccco4)cc3)cc(=O)c2c1
InChIInChI=1S/C22H17NO4/c1-14-4-9-20-18(11-14)19(24)12-21(27-20)15-5-7-16(8-6-15)22(25)23-13-17-3-2-10-26-17/h2-12H,13H2,1H3,(H,23,25)
InChIKeyWYMZQRJZFCDKOI-UHFFFAOYSA-N
XLogP4.29
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
11-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]undecanoic acid
CID 108790270
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790344
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
4-(6-methyl-4-oxochromen-2-yl)-N-(3-nitrophenyl)benzamide
CID 108803167
4-ethylsulfonyl-2-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]butanoic acid
CID 108803156
4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
CID 108790350
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803042

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108790263) is N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)NCc4ccco4)cc3)cc(=O)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is WYMZQRJZFCDKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-14-4-9-20-18(11-14)19(24)12-21(27-20)15-5-7-16(8-6-15)22(25)23-13-17-3-2-10-26-17/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 359.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108790263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).