3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

C14H18ClN3O5 — CID 120943628

IUPAC3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1CNCC1O
InChIInChI=1S/C14H18ClN3O5/c15-10-1-2-13(11(5-10)18(21)22)23-4-3-14(20)17-7-9-6-16-8-12(9)19/h1-2,5,9,12,16,19H,3-4,6-8H2,(H,17,20)
InChIKeySXBJHAOWKLCZJC-UHFFFAOYSA-N
MW343.77 g/mol
LogP0.71
Rot. Bonds7

About 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (PubChem CID 120943628) has the molecular formula C14H18ClN3O5 and a molecular weight of 343.77 g/mol. Its IUPAC name is 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
PubChem CID120943628
Molecular FormulaC14H18ClN3O5
Molecular Weight343.77 g/mol
Exact Mass343.09
IUPAC Name3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1CNCC1O
InChIInChI=1S/C14H18ClN3O5/c15-10-1-2-13(11(5-10)18(21)22)23-4-3-14(20)17-7-9-6-16-8-12(9)19/h1-2,5,9,12,16,19H,3-4,6-8H2,(H,17,20)
InChIKeySXBJHAOWKLCZJC-UHFFFAOYSA-N
XLogP0.71
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119426675
N-(3-aminopropyl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
CID 119406880
4-[[[4-(4-chloro-2-nitrophenoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962812
N-(3-amino-2-methylpropyl)-3-(4-chloro-2-nitrophenoxy)propanamide
CID 119995399
3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442830
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
CID 119574074
2-(3-fluoro-4-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120946560
3-(4-chloro-2-nitrophenoxy)propan-1-ol
CID 43509924
3-(4-chloro-2-nitrophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119623516
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
(2S)-1-[3-(4-chloro-2-nitrophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366270
1-[3-(4-chloro-2-nitrophenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113506

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (CID 120943628) is 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1CNCC1O.
What is the InChIKey of 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The InChIKey is SXBJHAOWKLCZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O5/c15-10-1-2-13(11(5-10)18(21)22)23-4-3-14(20)17-7-9-6-16-8-12(9)19/h1-2,5,9,12,16,19H,3-4,6-8H2,(H,17,20).
What are the key properties of 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide has a molecular weight of 343.77 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 120943628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).