N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride

C15H21Cl2N3O4 — CID 119574074

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1.Cl
InChIInChI=1S/C15H20ClN3O4.ClH/c1-15(9-17,10-2-3-10)18-14(20)6-7-23-13-5-4-11(16)8-12(13)19(21)22;/h4-5,8,10H,2-3,6-7,9,17H2,1H3,(H,18,20);1H
InChIKeyNPQMHRDPZZJLAC-UHFFFAOYSA-N
MW378.26 g/mol
LogP2.68
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride (PubChem CID 119574074) has the molecular formula C15H21Cl2N3O4 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
PubChem CID119574074
Molecular FormulaC15H21Cl2N3O4
Molecular Weight378.26 g/mol
Exact Mass377.09
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1.Cl
InChIInChI=1S/C15H20ClN3O4.ClH/c1-15(9-17,10-2-3-10)18-14(20)6-7-23-13-5-4-11(16)8-12(13)19(21)22;/h4-5,8,10H,2-3,6-7,9,17H2,1H3,(H,18,20);1H
InChIKeyNPQMHRDPZZJLAC-UHFFFAOYSA-N
XLogP2.68
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119574900
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CID 119406880
N-(3-amino-2-methylpropyl)-3-(4-chloro-2-nitrophenoxy)propanamide
CID 119995399
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride
CID 119574926
3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119426675
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride
CID 119572208
3-(4-chloro-2-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943628
N-(1-aminopropan-2-yl)-3-(4-chloro-2-nitrophenoxy)-N-methylpropanamide
CID 119583214
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 115737293
3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442830
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
3-(4-chloro-2-nitrophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119623516

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride (CID 119574074) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride is CC(CN)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride?
The InChIKey is NPQMHRDPZZJLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4.ClH/c1-15(9-17,10-2-3-10)18-14(20)6-7-23-13-5-4-11(16)8-12(13)19(21)22;/h4-5,8,10H,2-3,6-7,9,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride has a molecular weight of 378.26 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119574074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).