5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide

C19H17ClN2O3 — CID 166227335

IUPAC5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C19H17ClN2O3/c1-21-18(23)15(9-12-5-3-2-4-6-12)22-19(24)17-11-13-10-14(20)7-8-16(13)25-17/h2-8,10-11,15H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyJLQDZUXXWGRSOV-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.17
Rot. Bonds5

About 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide

5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 166227335) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID166227335
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C19H17ClN2O3/c1-21-18(23)15(9-12-5-3-2-4-6-12)22-19(24)17-11-13-10-14(20)7-8-16(13)25-17/h2-8,10-11,15H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyJLQDZUXXWGRSOV-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 75383586
(2S)-3-(2-benzyl-4-hydroxyphenyl)-2-[[5-(4-chlorophenyl)-1-benzofuran-2-carbonyl]amino]propanoic acid
CID 91414114
5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9427401
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
5-chloro-N-[(2-methylsulfanylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 11616917
methyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 86910334
(2R)-2-amino-3-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11003677
ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
CID 86813424
5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide
CID 41010023
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-N-methyl-3-phenylpropanamide;ethane
CID 167455115
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide (CID 166227335) is 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide is CNC(=O)C(Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is JLQDZUXXWGRSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-21-18(23)15(9-12-5-3-2-4-6-12)22-19(24)17-11-13-10-14(20)7-8-16(13)25-17/h2-8,10-11,15H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide?
5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166227335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).