2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide

C19H19ClN2O3 — CID 26256690

IUPAC2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H19ClN2O3/c20-17-9-2-1-8-16(17)19(24)22-14-6-3-5-13(11-14)18(23)21-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyNSMGLZXPSNKYTD-HNNXBMFYSA-N
MW358.83 g/mol
LogP3.50
Rot. Bonds5

About 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide

2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide (PubChem CID 26256690) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
PubChem CID26256690
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H19ClN2O3/c20-17-9-2-1-8-16(17)19(24)22-14-6-3-5-13(11-14)18(23)21-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyNSMGLZXPSNKYTD-HNNXBMFYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide
CID 17202343
3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202638
3-(benzoylcarbamothioylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42427579
2-chloro-N-[3-[(E)-2-cyano-3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-enyl]phenyl]benzamide
CID 7912001
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
2-bromo-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17202635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide (CID 26256690) is 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide is O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The InChIKey is NSMGLZXPSNKYTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-17-9-2-1-8-16(17)19(24)22-14-6-3-5-13(11-14)18(23)21-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,23)(H,22,24)/t15-/m0/s1.
What are the key properties of 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide has a molecular weight of 358.83 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 26256690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).