5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide

C18H18ClNO4 — CID 95984859

IUPAC5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC[C@@]1(O)CCOc2ccccc21
InChIInChI=1S/C18H18ClNO4/c1-23-15-7-6-12(19)10-13(15)17(21)20-11-18(22)8-9-24-16-5-3-2-4-14(16)18/h2-7,10,22H,8-9,11H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyJSJULEQSDDCPBI-SFHVURJKSA-N
MW347.80 g/mol
LogP2.75
Rot. Bonds4

About 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide

5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide (PubChem CID 95984859) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
PubChem CID95984859
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC[C@@]1(O)CCOc2ccccc21
InChIInChI=1S/C18H18ClNO4/c1-23-15-7-6-12(19)10-13(15)17(21)20-11-18(22)8-9-24-16-5-3-2-4-14(16)18/h2-7,10,22H,8-9,11H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyJSJULEQSDDCPBI-SFHVURJKSA-N
XLogP2.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 90535863
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
CID 90535736
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]prop-2-enamide
CID 90535769
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754
3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 90535862
5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957154
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-methoxybenzamide
CID 146080294
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 71788940
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97040498
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide (CID 95984859) is 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC[C@@]1(O)CCOc2ccccc21.
What is the InChIKey of 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide?
The InChIKey is JSJULEQSDDCPBI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-23-15-7-6-12(19)10-13(15)17(21)20-11-18(22)8-9-24-16-5-3-2-4-14(16)18/h2-7,10,22H,8-9,11H2,1H3,(H,20,21)/t18-/m0/s1.
What are the key properties of 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide?
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 347.80 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 95984859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).