N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

C19H17NO4 — CID 108803168

IUPACN-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCCO)cc3)cc(=O)c2c1
InChIInChI=1S/C19H17NO4/c1-12-2-7-17-15(10-12)16(22)11-18(24-17)13-3-5-14(6-4-13)19(23)20-8-9-21/h2-7,10-11,21H,8-9H2,1H3,(H,20,23)
InChIKeyIEJWJCWOGLGPDW-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.49
Rot. Bonds4

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

N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108803168) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108803168
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCCO)cc3)cc(=O)c2c1
InChIInChI=1S/C19H17NO4/c1-12-2-7-17-15(10-12)16(22)11-18(24-17)13-3-5-14(6-4-13)19(23)20-8-9-21/h2-7,10-11,21H,8-9H2,1H3,(H,20,23)
InChIKeyIEJWJCWOGLGPDW-UHFFFAOYSA-N
XLogP2.49
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

11-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]undecanoic acid
CID 108790270
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790263
N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790197
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
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-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108803168) is N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)NCCO)cc3)cc(=O)c2c1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is IEJWJCWOGLGPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-2-7-17-15(10-12)16(22)11-18(24-17)13-3-5-14(6-4-13)19(23)20-8-9-21/h2-7,10-11,21H,8-9H2,1H3,(H,20,23).
What are the key properties of N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 323.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108803168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).