N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride

C19H20ClN3O3 — CID 118536120

IUPACN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1
InChIInChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-1-5-14(6-2-12)21-18(23)13-3-7-15(8-4-13)22-9-10-25-19(22)24;/h1-8,16-17H,9-11,20H2,(H,21,23);1H/t16-,17+;/m0./s1
InChIKeyDQMDAENYCQWHCP-MCJVGQIASA-N
MW373.84 g/mol
LogP3.13
Rot. Bonds4

About N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride

N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride (PubChem CID 118536120) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
PubChem CID118536120
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1
InChIInChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-1-5-14(6-2-12)21-18(23)13-3-7-15(8-4-13)22-9-10-25-19(22)24;/h1-8,16-17H,9-11,20H2,(H,21,23);1H/t16-,17+;/m0./s1
InChIKeyDQMDAENYCQWHCP-MCJVGQIASA-N
XLogP3.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride?
The IUPAC name of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride (CID 118536120) is N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride is Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1.
What is the InChIKey of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride?
The InChIKey is DQMDAENYCQWHCP-MCJVGQIASA-N. The full InChI is InChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-1-5-14(6-2-12)21-18(23)13-3-7-15(8-4-13)22-9-10-25-19(22)24;/h1-8,16-17H,9-11,20H2,(H,21,23);1H/t16-,17+;/m0./s1.
What are the key properties of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride?
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride has a molecular weight of 373.84 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 118536120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).