N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

C19H18ClNO3 — CID 9079515

IUPACN-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)NCc2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C19H18ClNO3/c1-2-23-12-16-15-8-3-4-9-17(15)24-18(16)19(22)21-11-13-6-5-7-14(20)10-13/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyDOSRCQUYOOCUTI-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.55
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 9079515) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID9079515
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)NCc2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C19H18ClNO3/c1-2-23-12-16-15-8-3-4-9-17(15)24-18(16)19(22)21-11-13-6-5-7-14(20)10-13/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyDOSRCQUYOOCUTI-UHFFFAOYSA-N
XLogP4.55
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960865
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8948223
3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8533027
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960975
3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8941093
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302
3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 8867085
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide
CID 95776307
3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55693275

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (CID 9079515) is N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)NCc2cccc(Cl)c2)oc2ccccc12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is DOSRCQUYOOCUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-2-23-12-16-15-8-3-4-9-17(15)24-18(16)19(22)21-11-13-6-5-7-14(20)10-13/h3-10H,2,11-12H2,1H3,(H,21,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9079515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).