N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide

C13H16ClN3O3 — CID 100696956

IUPACN-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C(NCC[C@@H](O)c1cccc(Cl)c1)N1CCNC1=O
InChIInChI=1S/C13H16ClN3O3/c14-10-3-1-2-9(8-10)11(18)4-5-15-12(19)17-7-6-16-13(17)20/h1-3,8,11,18H,4-7H2,(H,15,19)(H,16,20)/t11-/m1/s1
InChIKeyNEMXMRRWXAAIJY-LLVKDONJSA-N
MW297.74 g/mol
LogP1.50
Rot. Bonds4

About N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide

N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 100696956) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID100696956
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C(NCC[C@@H](O)c1cccc(Cl)c1)N1CCNC1=O
InChIInChI=1S/C13H16ClN3O3/c14-10-3-1-2-9(8-10)11(18)4-5-15-12(19)17-7-6-16-13(17)20/h1-3,8,11,18H,4-7H2,(H,15,19)(H,16,20)/t11-/m1/s1
InChIKeyNEMXMRRWXAAIJY-LLVKDONJSA-N
XLogP1.50
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9307678
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
CID 100696177
2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
CID 100696524
(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 100696828
[1-[[3-(3-chlorophenyl)-3-hydroxypropyl]amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91624388
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide
CID 71803847
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 91624378
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 100697984
3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472067
N-(2-amino-2-oxo-1-phenylethyl)-2-oxoimidazolidine-1-carboxamide
CID 20540544

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide (CID 100696956) is N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide is O=C(NCC[C@@H](O)c1cccc(Cl)c1)N1CCNC1=O.
What is the InChIKey of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is NEMXMRRWXAAIJY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-10-3-1-2-9(8-10)11(18)4-5-15-12(19)17-7-6-16-13(17)20/h1-3,8,11,18H,4-7H2,(H,15,19)(H,16,20)/t11-/m1/s1.
What are the key properties of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide?
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 100696956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).