N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide

C14H16ClN3O2 — CID 155350792

IUPACN-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide
SMILESN#Cc1ccc(NC(=O)C(O)CN2CCCC2)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c15-12-7-11(4-3-10(12)8-16)17-14(20)13(19)9-18-5-1-2-6-18/h3-4,7,13,19H,1-2,5-6,9H2,(H,17,20)
InChIKeyQYNTZHVAKYXZLM-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.61
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide

N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide (PubChem CID 155350792) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide
PubChem CID155350792
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide
SMILESN#Cc1ccc(NC(=O)C(O)CN2CCCC2)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c15-12-7-11(4-3-10(12)8-16)17-14(20)13(19)9-18-5-1-2-6-18/h3-4,7,13,19H,1-2,5-6,9H2,(H,17,20)
InChIKeyQYNTZHVAKYXZLM-UHFFFAOYSA-N
XLogP1.61
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114068
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
ethyl (3R)-1-[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 9444799
4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782603
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344
(2S)-2-amino-N-(3-chloro-4-cyanophenyl)-3,3-dimethylbutanamide
CID 61149342
ethyl (3S)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8014435
(2S)-N-(3-chloro-4-cyanophenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95344481
(2S)-N-(3-chloro-4-cyanophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30956056
ethyl 4-[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431235
(2S)-N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)propanamide
CID 67012255

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide (CID 155350792) is N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide is N#Cc1ccc(NC(=O)C(O)CN2CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide?
The InChIKey is QYNTZHVAKYXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-12-7-11(4-3-10(12)8-16)17-14(20)13(19)9-18-5-1-2-6-18/h3-4,7,13,19H,1-2,5-6,9H2,(H,17,20).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide?
N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide has a molecular weight of 293.75 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 155350792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).