N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide

C20H23ClN2O3 — CID 110280223

IUPACN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)c1oc2cc(C)c(Cl)cc2c1C
InChIInChI=1S/C20H23ClN2O3/c1-6-8-23(9-7-2)20(25)14(5)22-19(24)18-13(4)15-11-16(21)12(3)10-17(15)26-18/h6-7,10-11,14H,1-2,8-9H2,3-5H3,(H,22,24)
InChIKeyHCPRIYHJZBHMLE-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.02
Rot. Bonds7

About N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide

N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 110280223) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID110280223
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)c1oc2cc(C)c(Cl)cc2c1C
InChIInChI=1S/C20H23ClN2O3/c1-6-8-23(9-7-2)20(25)14(5)22-19(24)18-13(4)15-11-16(21)12(3)10-17(15)26-18/h6-7,10-11,14H,1-2,8-9H2,3-5H3,(H,22,24)
InChIKeyHCPRIYHJZBHMLE-UHFFFAOYSA-N
XLogP4.02
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 110280231
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 110280216
5-chloro-N-(3,3-dimethyl-2-oxobutyl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95753622
5-chloro-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35576709
5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 51065321
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide
CID 110280328
5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852712
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110280110
1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953815
5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
CID 110280522
5-chloro-3-methyl-N-(5-methylhexan-2-yl)-1-benzofuran-2-carboxamide
CID 16561047
5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 121238583

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide (CID 110280223) is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide is C=CCN(CC=C)C(=O)C(C)NC(=O)c1oc2cc(C)c(Cl)cc2c1C.
What is the InChIKey of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is HCPRIYHJZBHMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-6-8-23(9-7-2)20(25)14(5)22-19(24)18-13(4)15-11-16(21)12(3)10-17(15)26-18/h6-7,10-11,14H,1-2,8-9H2,3-5H3,(H,22,24).
What are the key properties of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide?
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110280223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).