3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide

C14H18ClN3O — CID 112575801

IUPAC3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCN(C3CC3)C2)c1Cl
InChIInChI=1S/C14H18ClN3O/c15-13-11(2-1-3-12(13)16)14(19)17-9-6-7-18(8-9)10-4-5-10/h1-3,9-10H,4-8,16H2,(H,17,19)
InChIKeyZPLHPWAAYGJXFS-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.89
Rot. Bonds3

About 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide

3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide (PubChem CID 112575801) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
PubChem CID112575801
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCN(C3CC3)C2)c1Cl
InChIInChI=1S/C14H18ClN3O/c15-13-11(2-1-3-12(13)16)14(19)17-9-6-7-18(8-9)10-4-5-10/h1-3,9-10H,4-8,16H2,(H,17,19)
InChIKeyZPLHPWAAYGJXFS-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
3-amino-2-chloro-N-(1,1-dioxothian-4-yl)benzamide
CID 112575046
3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 112575976
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62233324
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
5-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 81317228
2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide
CID 94695007
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
CID 60728134
2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide
CID 12898848
N-(1-cyclopropylpyrrolidin-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62173888

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide (CID 112575801) is 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide is Nc1cccc(C(=O)NC2CCN(C3CC3)C2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The InChIKey is ZPLHPWAAYGJXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-13-11(2-1-3-12(13)16)14(19)17-9-6-7-18(8-9)10-4-5-10/h1-3,9-10H,4-8,16H2,(H,17,19).
What are the key properties of 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide has a molecular weight of 279.77 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 112575801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).