(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H14ClNO2 — CID 9079755

IUPAC(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C16H14ClNO2/c17-13-6-3-4-11(8-13)10-18-16(19)15-9-12-5-1-2-7-14(12)20-15/h1-8,15H,9-10H2,(H,18,19)/t15-/m0/s1
InChIKeyBOABOVRDSVNZOF-HNNXBMFYSA-N
MW287.75 g/mol
LogP2.96
Rot. Bonds3

About (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9079755) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9079755
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C16H14ClNO2/c17-13-6-3-4-11(8-13)10-18-16(19)15-9-12-5-1-2-7-14(12)20-15/h1-8,15H,9-10H2,(H,18,19)/t15-/m0/s1
InChIKeyBOABOVRDSVNZOF-HNNXBMFYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51079368
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51317174
(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9086711
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42936919
methyl 5-[(2,3-dihydro-1-benzofuran-2-carbonylamino)methyl]-2-methoxybenzoate
CID 18089755
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47043735
N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 132502482
(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705155

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9079755) is (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1cccc(Cl)c1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is BOABOVRDSVNZOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-6-3-4-11(8-13)10-18-16(19)15-9-12-5-1-2-7-14(12)20-15/h1-8,15H,9-10H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9079755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).