7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide

C17H16ClNO3 — CID 24542566

IUPAC7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2oc3c(Cl)cccc3c2C)o1
InChIInChI=1S/C17H16ClNO3/c1-10-7-8-12(21-10)9-19(3)17(20)15-11(2)13-5-4-6-14(18)16(13)22-15/h4-8H,9H2,1-3H3
InChIKeyNVXCUDPATSYNQB-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.57
Rot. Bonds3

About 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide

7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 24542566) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID24542566
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2oc3c(Cl)cccc3c2C)o1
InChIInChI=1S/C17H16ClNO3/c1-10-7-8-12(21-10)9-19(3)17(20)15-11(2)13-5-4-6-14(18)16(13)22-15/h4-8H,9H2,1-3H3
InChIKeyNVXCUDPATSYNQB-UHFFFAOYSA-N
XLogP4.57
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46436436
7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135767538
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 16546548
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 112820841
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
3-(2-chlorophenyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 29221000

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 24542566) is 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ccc(CN(C)C(=O)c2oc3c(Cl)cccc3c2C)o1.
What is the InChIKey of 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is NVXCUDPATSYNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-10-7-8-12(21-10)9-19(3)17(20)15-11(2)13-5-4-6-14(18)16(13)22-15/h4-8H,9H2,1-3H3.
What are the key properties of 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide?
7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 317.77 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24542566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).