N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide

C18H14ClNO5 — CID 1208241

IUPACN-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3cc(Cl)ccc3oc2=O)cc1OC
InChIInChI=1S/C18H14ClNO5/c1-23-15-5-3-10(9-16(15)24-2)17(21)20-13-8-11-7-12(19)4-6-14(11)25-18(13)22/h3-9H,1-2H3,(H,20,21)
InChIKeyNCVFQOFQKYRMIC-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.72
Rot. Bonds4

About N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide

N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide (PubChem CID 1208241) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide
PubChem CID1208241
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC NameN-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3cc(Cl)ccc3oc2=O)cc1OC
InChIInChI=1S/C18H14ClNO5/c1-23-15-5-3-10(9-16(15)24-2)17(21)20-13-8-11-7-12(19)4-6-14(11)25-18(13)22/h3-9H,1-2H3,(H,20,21)
InChIKeyNCVFQOFQKYRMIC-UHFFFAOYSA-N
XLogP3.72
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998412
N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide
CID 4276970
4-chloro-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 2797850
3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 3157286
methyl 3-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-methylbenzoate
CID 1246140
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 827907
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 15994043
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide (CID 1208241) is N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc3cc(Cl)ccc3oc2=O)cc1OC.
What is the InChIKey of N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide?
The InChIKey is NCVFQOFQKYRMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c1-23-15-5-3-10(9-16(15)24-2)17(21)20-13-8-11-7-12(19)4-6-14(11)25-18(13)22/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide?
N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide has a molecular weight of 359.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 1208241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).