N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide

C16H17ClN4O2 — CID 56803530

IUPACN'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)NC2CCN(C3CC3)C2)cc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-14-7-11(2-1-10(14)8-18)19-15(22)16(23)20-12-5-6-21(9-12)13-3-4-13/h1-2,7,12-13H,3-6,9H2,(H,19,22)(H,20,23)
InChIKeySQNNHQYQNQHREZ-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.50
Rot. Bonds3

About N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide

N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide (PubChem CID 56803530) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide
PubChem CID56803530
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)NC2CCN(C3CC3)C2)cc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-14-7-11(2-1-10(14)8-18)19-15(22)16(23)20-12-5-6-21(9-12)13-3-4-13/h1-2,7,12-13H,3-6,9H2,(H,19,22)(H,20,23)
InChIKeySQNNHQYQNQHREZ-UHFFFAOYSA-N
XLogP1.50
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
CID 55153801
N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide
CID 95615028
N'-[4-(cyanomethyl)phenyl]-N-[(3S)-1-cyclopentylpyrrolidin-3-yl]oxamide
CID 95615021
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide
CID 127333472
4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782603
(2S)-N-(3-chloro-4-cyanophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30956056
3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 103841788

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide?
The IUPAC name of N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide (CID 56803530) is N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide?
The canonical SMILES for N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide is N#Cc1ccc(NC(=O)C(=O)NC2CCN(C3CC3)C2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide?
The InChIKey is SQNNHQYQNQHREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-14-7-11(2-1-10(14)8-18)19-15(22)16(23)20-12-5-6-21(9-12)13-3-4-13/h1-2,7,12-13H,3-6,9H2,(H,19,22)(H,20,23).
What are the key properties of N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide?
N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide has a molecular weight of 332.79 g/mol, XLogP of 1.50, 3 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)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide is sourced from PubChem (CID 56803530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).