N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide

C16H15Cl2N3O3 — CID 9331654

IUPACN-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3O3/c1-10(11-3-2-4-12(17)7-11)19-9-16(22)20-14-8-13(18)5-6-15(14)21(23)24/h2-8,10,19H,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyPGYOIPDRKCARMS-SNVBAGLBSA-N
MW368.22 g/mol
LogP4.19
Rot. Bonds6

About N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide

N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide (PubChem CID 9331654) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
PubChem CID9331654
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC NameN-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3O3/c1-10(11-3-2-4-12(17)7-11)19-9-16(22)20-14-8-13(18)5-6-15(14)21(23)24/h2-8,10,19H,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyPGYOIPDRKCARMS-SNVBAGLBSA-N
XLogP4.19
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.19
H-Bond Donors ≤ 52
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

N-(5-chloro-2-nitrophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336439
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9331355
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898566
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9331511
2-(butan-2-ylamino)-N-(5-chloro-2-nitrophenyl)acetamide
CID 60646934
N-(5-chloro-2-nitrophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393376
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide
CID 9254284
(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81371261
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-(2-acetylphenyl)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331826
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684093
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide (CID 9331654) is N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1.
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is PGYOIPDRKCARMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-10(11-3-2-4-12(17)7-11)19-9-16(22)20-14-8-13(18)5-6-15(14)21(23)24/h2-8,10,19H,9H2,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide?
N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 368.22 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9331654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).