N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide

C17H23ClN2O4 — CID 133135233

IUPACN-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1C[C@@H](O)[C@H](OC(C)C)C1
InChIInChI=1S/C17H23ClN2O4/c1-4-16(22)19-13-7-11(18)5-6-12(13)17(23)20-8-14(21)15(9-20)24-10(2)3/h5-7,10,14-15,21H,4,8-9H2,1-3H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyYZGYEUPZSIMOFJ-HUUCEWRRSA-N
MW354.83 g/mol
LogP2.30
Rot. Bonds5

About N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide

N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide (PubChem CID 133135233) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide
PubChem CID133135233
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC NameN-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1C[C@@H](O)[C@H](OC(C)C)C1
InChIInChI=1S/C17H23ClN2O4/c1-4-16(22)19-13-7-11(18)5-6-12(13)17(23)20-8-14(21)15(9-20)24-10(2)3/h5-7,10,14-15,21H,4,8-9H2,1-3H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyYZGYEUPZSIMOFJ-HUUCEWRRSA-N
XLogP2.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide
CID 163315548
N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide
CID 131910409
N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide
CID 146044642
1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one
CID 119061996
N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 131913533
4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
CID 131943407
4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
CID 50956773
(4-chloro-2-methylphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 113351170
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide
CID 131921886
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide (CID 133135233) is N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)N1C[C@@H](O)[C@H](OC(C)C)C1.
What is the InChIKey of N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide?
The InChIKey is YZGYEUPZSIMOFJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-4-16(22)19-13-7-11(18)5-6-12(13)17(23)20-8-14(21)15(9-20)24-10(2)3/h5-7,10,14-15,21H,4,8-9H2,1-3H3,(H,19,22)/t14-,15-/m1/s1.
What are the key properties of N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide?
N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide has a molecular weight of 354.83 g/mol, XLogP of 2.30, 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-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 133135233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).