N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

C19H17ClN2O3 — CID 134046532

IUPACN-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCNC(=O)c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O3/c1-12-15-11-14(20)7-8-16(15)25-17(12)19(24)22-10-9-21-18(23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyFJNRNCAUNIQNTC-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.55
Rot. Bonds5

About N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 134046532) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID134046532
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCNC(=O)c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O3/c1-12-15-11-14(20)7-8-16(15)25-17(12)19(24)22-10-9-21-18(23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyFJNRNCAUNIQNTC-UHFFFAOYSA-N
XLogP3.55
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.55
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-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
2-[2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241919
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367767
5-chloro-3-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40708349
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-methoxypropanoic acid
CID 106107067
5-chloro-3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 9143399
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 55952733
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119535509
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 134046532) is N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCNC(=O)c2ccccc2)oc2ccc(Cl)cc12.
What is the InChIKey of N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FJNRNCAUNIQNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-15-11-14(20)7-8-16(15)25-17(12)19(24)22-10-9-21-18(23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 134046532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).