4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide

C16H15ClN2O5 — CID 108763285

IUPAC4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O
InChIInChI=1S/C16H15ClN2O5/c1-7(20)12-8(2)24-16(13(12)14(18)21)19-15(22)10-6-9(17)4-5-11(10)23-3/h4-6H,1-3H3,(H2,18,21)(H,19,22)
InChIKeyOJWPTXVKZNRBGR-UHFFFAOYSA-N
MW350.76 g/mol
LogP2.80
Rot. Bonds5

About 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide

4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide (PubChem CID 108763285) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
PubChem CID108763285
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O
InChIInChI=1S/C16H15ClN2O5/c1-7(20)12-8(2)24-16(13(12)14(18)21)19-15(22)10-6-9(17)4-5-11(10)23-3/h4-6H,1-3H3,(H2,18,21)(H,19,22)
InChIKeyOJWPTXVKZNRBGR-UHFFFAOYSA-N
XLogP2.80
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763231
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
CID 108740756
2-[(5-chloro-2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1239727
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
5-chloro-2-methoxy-N-(5-methylpyridin-1-ium-2-yl)benzamide
CID 4047876
N-(2-amino-5-chloro-4-methylphenyl)-5-chloro-2-methoxybenzamide
CID 91687657
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
CID 79516243
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide (CID 108763285) is 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide is COc1ccc(Cl)cc1C(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O.
What is the InChIKey of 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
The InChIKey is OJWPTXVKZNRBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-7(20)12-8(2)24-16(13(12)14(18)21)19-15(22)10-6-9(17)4-5-11(10)23-3/h4-6H,1-3H3,(H2,18,21)(H,19,22).
What are the key properties of 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide has a molecular weight of 350.76 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108763285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).