N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide

C22H18ClNO3 — CID 141114125

IUPACN-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C22H18ClNO3/c23-19-6-2-3-7-20(19)24-22(25)15-9-11-17(12-10-15)26-14-18-13-16-5-1-4-8-21(16)27-18/h1-12,18H,13-14H2,(H,24,25)/t18-/m0/s1
InChIKeySKAFVPVQZPWLHH-SFHVURJKSA-N
MW379.84 g/mol
LogP4.97
Rot. Bonds5

About N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide

N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide (PubChem CID 141114125) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide
PubChem CID141114125
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC NameN-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C22H18ClNO3/c23-19-6-2-3-7-20(19)24-22(25)15-9-11-17(12-10-15)26-14-18-13-16-5-1-4-8-21(16)27-18/h1-12,18H,13-14H2,(H,24,25)/t18-/m0/s1
InChIKeySKAFVPVQZPWLHH-SFHVURJKSA-N
XLogP4.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl] acetate
CID 174481321
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66363776
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
2-[4-chloro-3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
CID 54764677
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
2-[4-chloro-3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]-2,2-difluoroacetic acid
CID 66782563
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
1-(2-chloro-4-methoxyphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 86862834
2-[[4-[(2-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 20986440

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide (CID 141114125) is N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide is O=C(Nc1ccccc1Cl)c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide?
The InChIKey is SKAFVPVQZPWLHH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-19-6-2-3-7-20(19)24-22(25)15-9-11-17(12-10-15)26-14-18-13-16-5-1-4-8-21(16)27-18/h1-12,18H,13-14H2,(H,24,25)/t18-/m0/s1.
What are the key properties of N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide?
N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide has a molecular weight of 379.84 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide is sourced from PubChem (CID 141114125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).