4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide

C16H17ClN2O2 — CID 129000910

IUPAC4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(Cl)c[nH]1
InChIInChI=1S/C16H17ClN2O2/c17-13-8-14(18-10-13)16(20)19-9-12-6-7-21-15(12)11-4-2-1-3-5-11/h1-5,8,10,12,15,18H,6-7,9H2,(H,19,20)/t12-,15-/m1/s1
InChIKeyUFCZUZMWBAROHM-IUODEOHRSA-N
MW304.78 g/mol
LogP3.18
Rot. Bonds4

About 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 129000910) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID129000910
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(Cl)c[nH]1
InChIInChI=1S/C16H17ClN2O2/c17-13-8-14(18-10-13)16(20)19-9-12-6-7-21-15(12)11-4-2-1-3-5-11/h1-5,8,10,12,15,18H,6-7,9H2,(H,19,20)/t12-,15-/m1/s1
InChIKeyUFCZUZMWBAROHM-IUODEOHRSA-N
XLogP3.18
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129002182
6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
5-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120701801
4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701781
5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129000874
3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129003341
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
1-(2-methoxyethyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 126772714
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 115598815
2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 52511157
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 129000910) is 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide is O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UFCZUZMWBAROHM-IUODEOHRSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-13-8-14(18-10-13)16(20)19-9-12-6-7-21-15(12)11-4-2-1-3-5-11/h1-5,8,10,12,15,18H,6-7,9H2,(H,19,20)/t12-,15-/m1/s1.
What are the key properties of 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 129000910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).