2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide

C19H20ClN3O3 — CID 51965724

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C19H20ClN3O3/c1-13(14-6-8-15(20)9-7-14)22(16-10-11-16)12-19(24)21-17-4-2-3-5-18(17)23(25)26/h2-9,13,16H,10-12H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyLEMMGXPLOBPUSQ-ZDUSSCGKSA-N
MW373.84 g/mol
LogP4.41
Rot. Bonds7

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide

2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide (PubChem CID 51965724) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
PubChem CID51965724
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C19H20ClN3O3/c1-13(14-6-8-15(20)9-7-14)22(16-10-11-16)12-19(24)21-17-4-2-3-5-18(17)23(25)26/h2-9,13,16H,10-12H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyLEMMGXPLOBPUSQ-ZDUSSCGKSA-N
XLogP4.41
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[[(1R)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51961221
2-[[(1S)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide
CID 51961219
2-[cyclopropyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 60833248
2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 55860648
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 46444137
N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9053004
(4-chlorophenyl)methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 7104104
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(2-nitrophenyl)urea
CID 51961740
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide
CID 62014044
2-[[2-(2-bromoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083127
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide
CID 8580257

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide (CID 51965724) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide is C[C@@H](c1ccc(Cl)cc1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide?
The InChIKey is LEMMGXPLOBPUSQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13(14-6-8-15(20)9-7-14)22(16-10-11-16)12-19(24)21-17-4-2-3-5-18(17)23(25)26/h2-9,13,16H,10-12H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide has a molecular weight of 373.84 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 51965724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).