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

C15H13ClN2O3 — CID 125472852

IUPACN-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide
SMILESO=CN[C@@H](Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-5-11(6-8-13)14(17-10-19)9-12-3-1-2-4-15(12)18(20)21/h1-8,10,14H,9H2,(H,17,19)/t14-/m0/s1
InChIKeyJEHGATVAJLHSPK-AWEZNQCLSA-N
MW304.73 g/mol
LogP3.28
Rot. Bonds6

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

N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide (PubChem CID 125472852) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide
PubChem CID125472852
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide
SMILESO=CN[C@@H](Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-5-11(6-8-13)14(17-10-19)9-12-3-1-2-4-15(12)18(20)21/h1-8,10,14H,9H2,(H,17,19)/t14-/m0/s1
InChIKeyJEHGATVAJLHSPK-AWEZNQCLSA-N
XLogP3.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(3-chloro-4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 103222354
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol
CID 63017856
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide (CID 125472852) is N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide is O=CN[C@@H](Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide?
The InChIKey is JEHGATVAJLHSPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-7-5-11(6-8-13)14(17-10-19)9-12-3-1-2-4-15(12)18(20)21/h1-8,10,14H,9H2,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide?
N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide has a molecular weight of 304.73 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide is sourced from PubChem (CID 125472852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).