2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide

C12H17N3O — CID 79731342

IUPAC2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC1CCNC1
InChIInChI=1S/C12H17N3O/c13-12(16)7-9-3-1-2-4-11(9)15-10-5-6-14-8-10/h1-4,10,14-15H,5-8H2,(H2,13,16)
InChIKeyFQRLLEIOWIPCKC-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.49
Rot. Bonds4

About 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide

2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide (PubChem CID 79731342) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide
PubChem CID79731342
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC1CCNC1
InChIInChI=1S/C12H17N3O/c13-12(16)7-9-3-1-2-4-11(9)15-10-5-6-14-8-10/h1-4,10,14-15H,5-8H2,(H2,13,16)
InChIKeyFQRLLEIOWIPCKC-UHFFFAOYSA-N
XLogP0.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide
CID 64754665
2-[2-[(1-propylpiperidin-4-yl)amino]phenyl]acetamide
CID 43738460
2-[2-(oxepan-4-ylamino)phenyl]acetamide
CID 65082099
2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide
CID 115998787
2-(piperidin-3-ylamino)benzamide
CID 63319381
N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide
CID 79731257
N-(2-bromophenyl)pyrrolidin-3-amine
CID 66545624
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
N-(2-methylphenyl)pyrrolidin-3-amine
CID 79725314

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide?
The IUPAC name of 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide (CID 79731342) is 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide?
The canonical SMILES for 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide is NC(=O)Cc1ccccc1NC1CCNC1.
What is the InChIKey of 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide?
The InChIKey is FQRLLEIOWIPCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(16)7-9-3-1-2-4-11(9)15-10-5-6-14-8-10/h1-4,10,14-15H,5-8H2,(H2,13,16).
What are the key properties of 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide?
2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide has a molecular weight of 219.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide is sourced from PubChem (CID 79731342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).