2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide

C16H21ClN2O — CID 99832914

IUPAC2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O/c1-11-2-5-14(15(17)8-11)16(20)18-9-12-6-7-19(10-12)13-3-4-13/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyCUSXYZKLIMFNIR-GFCCVEGCSA-N
MW292.81 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide

2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide (PubChem CID 99832914) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
PubChem CID99832914
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O/c1-11-2-5-14(15(17)8-11)16(20)18-9-12-6-7-19(10-12)13-3-4-13/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyCUSXYZKLIMFNIR-GFCCVEGCSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodobenzamide
CID 103994708
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
CID 92717372
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-ethylsulfinylbenzamide
CID 146085428
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 60975482

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide (CID 99832914) is 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide?
The InChIKey is CUSXYZKLIMFNIR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-11-2-5-14(15(17)8-11)16(20)18-9-12-6-7-19(10-12)13-3-4-13/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide?
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide has a molecular weight of 292.81 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 99832914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).