N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide

C14H19ClN2O3 — CID 111333934

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CN1CC[C@H](O)C1
InChIInChI=1S/C14H19ClN2O3/c1-20-13-3-2-11(15)6-10(13)7-16-14(19)9-17-5-4-12(18)8-17/h2-3,6,12,18H,4-5,7-9H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyMEKDRXSUEGXVRD-LBPRGKRZSA-N
MW298.77 g/mol
LogP1.03
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide

N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 111333934) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
PubChem CID111333934
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CN1CC[C@H](O)C1
InChIInChI=1S/C14H19ClN2O3/c1-20-13-3-2-11(15)6-10(13)7-16-14(19)9-17-5-4-12(18)8-17/h2-3,6,12,18H,4-5,7-9H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyMEKDRXSUEGXVRD-LBPRGKRZSA-N
XLogP1.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 87012554
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78894672
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 61038393
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 128986772
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71848842
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55132319

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide (CID 111333934) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide is COc1ccc(Cl)cc1CNC(=O)CN1CC[C@H](O)C1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is MEKDRXSUEGXVRD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-20-13-3-2-11(15)6-10(13)7-16-14(19)9-17-5-4-12(18)8-17/h2-3,6,12,18H,4-5,7-9H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 298.77 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 111333934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).