N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride

C21H24ClN3O3 — CID 118483829

IUPACN-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
SMILESCCC1(N)CC1c1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1.Cl
InChIInChI=1S/C21H23N3O3.ClH/c1-2-21(22)13-18(21)14-3-7-16(8-4-14)23-19(25)15-5-9-17(10-6-15)24-11-12-27-20(24)26;/h3-10,18H,2,11-13,22H2,1H3,(H,23,25);1H
InChIKeyOQTGEELFGMGIAW-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.91
Rot. Bonds5

About N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride

N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride (PubChem CID 118483829) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
PubChem CID118483829
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
SMILESCCC1(N)CC1c1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1.Cl
InChIInChI=1S/C21H23N3O3.ClH/c1-2-21(22)13-18(21)14-3-7-16(8-4-14)23-19(25)15-5-9-17(10-6-15)24-11-12-27-20(24)26;/h3-10,18H,2,11-13,22H2,1H3,(H,23,25);1H
InChIKeyOQTGEELFGMGIAW-UHFFFAOYSA-N
XLogP3.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyclopropylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 123386905
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride
CID 118483850
N-[4-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 74763834
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide
CID 118483857
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride
CID 118483954
3,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 110363407
N-[4-(difluoromethoxy)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460027
N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99809239
N-naphthalen-1-yl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460042
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460277
N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
CID 90205042
1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 60545931

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride?
The IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride (CID 118483829) is N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride is CCC1(N)CC1c1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1.Cl.
What is the InChIKey of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride?
The InChIKey is OQTGEELFGMGIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3.ClH/c1-2-21(22)13-18(21)14-3-7-16(8-4-14)23-19(25)15-5-9-17(10-6-15)24-11-12-27-20(24)26;/h3-10,18H,2,11-13,22H2,1H3,(H,23,25);1H.
What are the key properties of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride?
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 118483829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).