N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide

C17H24ClN3O2 — CID 94814610

IUPACN-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-2-3-16(22)20-11-17(23)19-10-13-8-9-21(12-13)15-6-4-14(18)5-7-15/h4-7,13H,2-3,8-12H2,1H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyFDPHYKFRWNFBSO-CYBMUJFWSA-N
MW337.85 g/mol
LogP2.20
Rot. Bonds7

About N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide

N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide (PubChem CID 94814610) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
PubChem CID94814610
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-2-3-16(22)20-11-17(23)19-10-13-8-9-21(12-13)15-6-4-14(18)5-7-15/h4-7,13H,2-3,8-12H2,1H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyFDPHYKFRWNFBSO-CYBMUJFWSA-N
XLogP2.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
CID 51094737
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
CID 94809660
2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56526680
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94812810
N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
CID 100647189
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide
CID 136579315

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide (CID 94814610) is N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide?
The InChIKey is FDPHYKFRWNFBSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-3-16(22)20-11-17(23)19-10-13-8-9-21(12-13)15-6-4-14(18)5-7-15/h4-7,13H,2-3,8-12H2,1H3,(H,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide?
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide has a molecular weight of 337.85 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 94814610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).