N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

C14H15ClN2O3 — CID 47189063

IUPACN-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCC(N)=O)oc2ccc(Cl)cc12
InChIInChI=1S/C14H15ClN2O3/c1-8-10-7-9(15)4-5-11(10)20-13(8)14(19)17-6-2-3-12(16)18/h4-5,7H,2-3,6H2,1H3,(H2,16,18)(H,17,19)
InChIKeyYEOVRUMBUAPRAX-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.39
Rot. Bonds5

About N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 47189063) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID47189063
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCC(N)=O)oc2ccc(Cl)cc12
InChIInChI=1S/C14H15ClN2O3/c1-8-10-7-9(15)4-5-11(10)20-13(8)14(19)17-6-2-3-12(16)18/h4-5,7H,2-3,6H2,1H3,(H2,16,18)(H,17,19)
InChIKeyYEOVRUMBUAPRAX-UHFFFAOYSA-N
XLogP2.39
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
2-[2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241919
N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 55952733
5-chloro-N-[2-(ethylamino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17427942
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367767
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107067
N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119523001
5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119535509
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
4-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119204062

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 47189063) is N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCCC(N)=O)oc2ccc(Cl)cc12.
What is the InChIKey of N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YEOVRUMBUAPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8-10-7-9(15)4-5-11(10)20-13(8)14(19)17-6-2-3-12(16)18/h4-5,7H,2-3,6H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47189063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).