N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide

C14H11Cl2N3O3 — CID 54348060

IUPACN,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide
SMILESO=C(C(Nc1ccccc1[N+](=O)[O-])c1ccccc1)N(Cl)Cl
InChIInChI=1S/C14H11Cl2N3O3/c15-18(16)14(20)13(10-6-2-1-3-7-10)17-11-8-4-5-9-12(11)19(21)22/h1-9,13,17H
InChIKeyUDRYKYHLRKOECM-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.88
Rot. Bonds5

About N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide

N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide (PubChem CID 54348060) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide
PubChem CID54348060
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC NameN,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide
SMILESO=C(C(Nc1ccccc1[N+](=O)[O-])c1ccccc1)N(Cl)Cl
InChIInChI=1S/C14H11Cl2N3O3/c15-18(16)14(20)13(10-6-2-1-3-7-10)17-11-8-4-5-9-12(11)19(21)22/h1-9,13,17H
InChIKeyUDRYKYHLRKOECM-UHFFFAOYSA-N
XLogP3.88
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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

2-(2-nitroanilino)-2-phenylethanol
CID 24950496
(2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide
CID 51957864
(2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide
CID 51984141
methyl (2S)-3-methyl-2-(2-nitroanilino)butanoate
CID 102338756
N-[(1S)-2,2,2-tribromo-1-(2-nitroanilino)ethyl]benzamide
CID 98092764
azane;2-nitro-N-propan-2-ylaniline
CID 174872000
2-[(3-nitro-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110473
methyl (2S,3R)-3-hydroxy-2-(2-nitroanilino)butanoate
CID 46848691
4-methyl-2-(2-nitroanilino)pentanoic acid
CID 55207442
methyl 2-(2,6-dichlorophenyl)-2-(2-nitroanilino)ethanimidate
CID 21479435
3-methoxy-2-(2-nitroanilino)propanoic acid
CID 81077702
3-methyl-2-(2-nitroanilino)butanamide
CID 75429977

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide?
The IUPAC name of N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide (CID 54348060) is N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide.
What is the SMILES notation for N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide?
The canonical SMILES for N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide is O=C(C(Nc1ccccc1[N+](=O)[O-])c1ccccc1)N(Cl)Cl.
What is the InChIKey of N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide?
The InChIKey is UDRYKYHLRKOECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c15-18(16)14(20)13(10-6-2-1-3-7-10)17-11-8-4-5-9-12(11)19(21)22/h1-9,13,17H.
What are the key properties of N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide?
N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide has a molecular weight of 340.17 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide is sourced from PubChem (CID 54348060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).