2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide

C19H20BrClN2O — CID 27524437

IUPAC2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide
SMILESCCCC/C(=N/NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20BrClN2O/c1-2-3-4-18(15-7-11-17(21)12-8-15)22-23-19(24)13-14-5-9-16(20)10-6-14/h5-12H,2-4,13H2,1H3,(H,23,24)/b22-18-
InChIKeyQUALNSDOHBYLMH-PYCFMQQDSA-N
MW407.74 g/mol
LogP5.36
Rot. Bonds7

About 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide

2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide (PubChem CID 27524437) has the molecular formula C19H20BrClN2O and a molecular weight of 407.74 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide
PubChem CID27524437
Molecular FormulaC19H20BrClN2O
Molecular Weight407.74 g/mol
Exact Mass406.04
IUPAC Name2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide
SMILESCCCC/C(=N/NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20BrClN2O/c1-2-3-4-18(15-7-11-17(21)12-8-15)22-23-19(24)13-14-5-9-16(20)10-6-14/h5-12H,2-4,13H2,1H3,(H,23,24)/b22-18-
InChIKeyQUALNSDOHBYLMH-PYCFMQQDSA-N
XLogP5.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.74
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977
N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide
CID 27521635
[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
N-(1-phenylpentylideneamino)octanamide
CID 4676930
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
2-(2-bromo-4-chloroanilino)-N-[(E)-1-phenylheptylideneamino]acetamide
CID 92652579
2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
CID 6527293
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6123992
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
CID 25237592
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide (CID 27524437) is 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide is CCCC/C(=N/NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide?
The InChIKey is QUALNSDOHBYLMH-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H20BrClN2O/c1-2-3-4-18(15-7-11-17(21)12-8-15)22-23-19(24)13-14-5-9-16(20)10-6-14/h5-12H,2-4,13H2,1H3,(H,23,24)/b22-18-.
What are the key properties of 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide?
2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide has a molecular weight of 407.74 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide is sourced from PubChem (CID 27524437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).