N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C14H16ClN3O2 — CID 62372959

IUPACN-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(CO)C2)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c15-13-5-12(2-1-11(13)6-16)17-14(20)8-18-4-3-10(7-18)9-19/h1-2,5,10,19H,3-4,7-9H2,(H,17,20)
InChIKeyFLLWQMIKUDBDFJ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.46
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 62372959) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID62372959
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(CO)C2)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c15-13-5-12(2-1-11(13)6-16)17-14(20)8-18-4-3-10(7-18)9-19/h1-2,5,10,19H,3-4,7-9H2,(H,17,20)
InChIKeyFLLWQMIKUDBDFJ-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371221
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide
CID 136562069
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
4-chloro-3-[[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]benzoic acid
CID 115965515

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 62372959) is N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is N#Cc1ccc(NC(=O)CN2CCC(CO)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is FLLWQMIKUDBDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-13-5-12(2-1-11(13)6-16)17-14(20)8-18-4-3-10(7-18)9-19/h1-2,5,10,19H,3-4,7-9H2,(H,17,20).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 293.75 g/mol, XLogP of 1.46, 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-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62372959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).