2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide

C16H13BrClN3O3 — CID 27524668

IUPAC2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13BrClN3O3/c1-10(12-4-7-14(18)15(9-12)21(23)24)19-20-16(22)8-11-2-5-13(17)6-3-11/h2-7,9H,8H2,1H3,(H,20,22)/b19-10-
InChIKeySBGCLFBSDPMXFM-GRSHGNNSSA-N
MW410.66 g/mol
LogP4.09
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide

2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide (PubChem CID 27524668) has the molecular formula C16H13BrClN3O3 and a molecular weight of 410.66 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
PubChem CID27524668
Molecular FormulaC16H13BrClN3O3
Molecular Weight410.66 g/mol
Exact Mass408.98
IUPAC Name2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13BrClN3O3/c1-10(12-4-7-14(18)15(9-12)21(23)24)19-20-16(22)8-11-2-5-13(17)6-3-11/h2-7,9H,8H2,1H3,(H,20,22)/b19-10-
InChIKeySBGCLFBSDPMXFM-GRSHGNNSSA-N
XLogP4.09
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.66
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428724
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 6053942
N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156
4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3407766
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide
CID 51342256
N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126156130
1-[1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-propan-2-ylthiourea
CID 4041828
N-[1-(4-chloro-3-nitrophenyl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 4135211

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide (CID 27524668) is 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is SBGCLFBSDPMXFM-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H13BrClN3O3/c1-10(12-4-7-14(18)15(9-12)21(23)24)19-20-16(22)8-11-2-5-13(17)6-3-11/h2-7,9H,8H2,1H3,(H,20,22)/b19-10-.
What are the key properties of 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide?
2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 410.66 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 27524668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).