2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride

C16H20ClF2N3O2 — CID 119814077

IUPAC2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NC1CCN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C16H19F2N3O2.ClH/c17-11-2-1-3-12(18)15(11)21-7-6-13(16(21)23)20-14(22)9-19-8-10-4-5-10;/h1-3,10,13,19H,4-9H2,(H,20,22);1H
InChIKeyDRNDYQYQQMUYNK-UHFFFAOYSA-N
MW359.80 g/mol
LogP1.61
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 119814077) has the molecular formula C16H20ClF2N3O2 and a molecular weight of 359.80 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID119814077
Molecular FormulaC16H20ClF2N3O2
Molecular Weight359.80 g/mol
Exact Mass359.12
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NC1CCN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C16H19F2N3O2.ClH/c17-11-2-1-3-12(18)15(11)21-7-6-13(16(21)23)20-14(22)9-19-8-10-4-5-10;/h1-3,10,13,19H,4-9H2,(H,20,22);1H
InChIKeyDRNDYQYQQMUYNK-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.80
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814096
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119815372
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride
CID 119814099
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795893
cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97053616
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119159997
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 91644390
3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea
CID 124592979
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 139013069

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride (CID 119814077) is 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NC1CCN(c2c(F)cccc2F)C1=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is DRNDYQYQQMUYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2.ClH/c17-11-2-1-3-12(18)15(11)21-7-6-13(16(21)23)20-14(22)9-19-8-10-4-5-10;/h1-3,10,13,19H,4-9H2,(H,20,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 359.80 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119814077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).