N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C13H17Cl2N3O3 — CID 119700281

IUPACN-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(O)CN2)cc1Cl.Cl
InChIInChI=1S/C13H16ClN3O3.ClH/c1-7(18)16-11-3-2-8(4-10(11)14)17-13(20)12-5-9(19)6-15-12;/h2-4,9,12,15,19H,5-6H2,1H3,(H,16,18)(H,17,20);1H
InChIKeyDDWIEWNYENUSRI-UHFFFAOYSA-N
MW334.20 g/mol
LogP1.38
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119700281) has the molecular formula C13H17Cl2N3O3 and a molecular weight of 334.20 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119700281
Molecular FormulaC13H17Cl2N3O3
Molecular Weight334.20 g/mol
Exact Mass333.06
IUPAC NameN-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(O)CN2)cc1Cl.Cl
InChIInChI=1S/C13H16ClN3O3.ClH/c1-7(18)16-11-3-2-8(4-10(11)14)17-13(20)12-5-9(19)6-15-12;/h2-4,9,12,15,19H,5-6H2,1H3,(H,16,18)(H,17,20);1H
InChIKeyDDWIEWNYENUSRI-UHFFFAOYSA-N
XLogP1.38
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43150554
N-(3-chloro-4-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862536
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119713267
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43707822
N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119671777
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741335
N-(9H-fluoren-2-yl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119680258
methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
CID 119775407
trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30461454

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119700281) is N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is CC(=O)Nc1ccc(NC(=O)C2CC(O)CN2)cc1Cl.Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DDWIEWNYENUSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3.ClH/c1-7(18)16-11-3-2-8(4-10(11)14)17-13(20)12-5-9(19)6-15-12;/h2-4,9,12,15,19H,5-6H2,1H3,(H,16,18)(H,17,20);1H.
What are the key properties of N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 334.20 g/mol, XLogP of 1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119700281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).